[Journal Article]
Water, ethanol, or methanol for adsorption chillers? Model-based performance prediction from Infrared-Large-Temperature-Jump experiments
Applied thermal engineering, 236 (Part D), 121816, 2023
[DOI: 10.1016/j.applthermaleng.2023.121816]

Henninger, Matthias Roland Wolfgang
Engelpracht, Mirko
Tuchlinski, Daniel
Ismail, Mohamed
Bardow, André (Corresponding author)
et al.

[Journal Article]
The Good pH probe: non-invasive pH in-line monitoring using Good buffers and Raman spectroscopy
Analytical and bioanalytical chemistry, 2023
[DOI: 10.1007/s00216-023-04993-0]

Müller, David Heinrich
Börger, Marieke Kara
Thien, Julia Jutta
Koß, Hans-Jürgen (Corresponding author)

[Journal Article]
Thermal decomposition of 1-ethyl-3-methylimidazolium acetate
Journal of molecular liquids, 390, Part B, 123093, 2023
[DOI: 10.1016/j.molliq.2023.123093]

Zaitsau, Dzmitry H.
Papusha, Maxim
Kopp, Wassja Alexander
Leonhard, Kai (Corresponding author)

[Conference Presentation]
Optimal design of industrial energy systems balancing reliability, costs, and greenhouse gas emissions
12th INREC 2023 - Uncertainties in Energy - Markets, Systems & Decisions Essen 2023-09-05 - 2023-09-09, 2023

Brosius, Benedict
Kremer, Michel
Schricker, Hendrik
Nilges, Benedikt
von der Aßen, Niklas Vincenz

[Conference Presentation]
Direct Air Carbon Capture and Storage (DACCS) - An "Energy Solution"?
"Energy Solutions. Research and Industry-Related Developments in Energy Production, Storage, Conversion, Transmission and Distribution." Trilateral symposium of the German National Academy of Sciences Leopoldina, the U.S. National Academy of Sciences and the Israel Academy of Sciences and Humanities Halle/Saale 2023-10-11 - 2023-10-12, 2023

von der Aßen, Niklas Vincenz

[Poster]
Test Rig for Assessing the Impact of Ambient Conditions on Direct Air Capture - How to Quantify Regeneration Mass Flow?
Thermodynamik-Kolloquium 2023 Hannover 2023-09-25 - 2023-09-27, 2023

Rezo, Daniel
Taron, Moritz
Engelpracht, Mirko
Postweiler, Patrik
Baumeister, Nils
et al.

[Conference Presentation]
Globale Analyse der Carbon Removal Rate von Direct Air Carbon Capture and Storage
Thermodynamik-Kolloquium 2023 Hannover 2023-09-25 - 2023-09-27, 2023

Rezo, Daniel
Postweiler, Patrik
Engelpracht, Mirko
von der Aßen, Niklas Vincenz

[Conference Presentation]
Mapping the Global Carbon Capture Efficiency of DAC
Heat Powered Cycles Conference 2023 Edinburgh 2023-09-04 - 2023-09-06, 2023

Rezo, Daniel
Postweiler, Patrik
Engelpracht, Mirko
von der Aßen, Niklas Vincenz

[Contribution to a conference proceedings]
Decarbonizing the glass industry: Thermodynamic assessment of energy efficiency measures and alternative heat supply
[Thermodynamik Kolloquium 2023, 2023-09-25 - 2023-09-27, Hannover/Garbsen, Germany], 2023

Jost, Daniel
Kanzurova, Sara
Nilges, Benedikt
Reinert, Christiane
von der Aßen, Niklas Vincenz

[Conference Presentation]
Decarbonizing the glass industry: Thermodynamic assessment of energy efficiency measures and alternative heat supply
Thermodynamik Kolloquium 2023 Hannover/Garbsen 2023-09-25 - 2023-09-27, 2023

Jost, Daniel
Kanzurova, Sara
Nilges, Benedikt
Reinert, Christiane
von der Aßen, Niklas Vincenz

[Contribution to a book, Contribution to a conference proceedings]
Identification of a dynamic model of the N-vinylcaprolactam-coglycidyl methacrylate microgel synthesis
33rd European Symposium on Computer Aided Process Engineering : Escape-33 / Edited by Antonios C. Kokossis, Michael C. Georgiadis, Efstratios Pistikopoulos, 2023
[DOI: 10.1016/B978-0-443-15274-0.50129-3]

Kaven, Luise Friederike
Nevolianis, Thomas
Wolter, Nadja Anna
Mhamdi, Adel
Pich, Andrij
et al.

[Conference Presentation]
Cleaner Cleaning with CO2-based Surfactants: A Cradle-to-Grave Life Cycle Assessment
Life Cycle Management, 2023

Eichwald, Stefan
Wollenweber, Marc
Tessien, Jade
Ouellet, Jake
Linker, Olga
et al.

[Contribution to a conference proceedings]
Dynamic Modelling of Adsorption Chillers Using Refrigerant Mixtures: Impacts of Equilibrium and Dynamics on Performance
[Heat Powered Cycles Conference 2023, 2023-09-04 - 2023-09-06, Edinburgh, Scotland], 2023

Lache, Marten
Engelpracht, Mirko
Leidolf, Sarah
Seiler, Jan
Bardow, André

[Contribution to a conference proceedings]
Evaluating the Performance of Adsorption Chillers with Water, Methanol, and Ethanol: IR-LTJ Experiments and Model-Based Scale-Up
[Heat Powered Cycles Conference 2023, 2023-09-04 - 2023-09-06, Edinburgh, Scotland], 2023

Henninger, Matthias Roland Wolfgang
Tuchlinski, Daniel
Ismail, Mohamed
Seiler, Jan
Bardow, André

[Book, Dissertation / PhD Thesis]
Life-cycle assessment of low-carbon technologies from screening to integrated energy system design
Aachener Beiträge zur Technischen Thermodynamik 43, 2023
[DOI: 10.18154/RWTH-2023-08675]

Deutz, Sarah

[Journal Article]
The first HyDRA challenge for computational vibrational spectroscopy
Physical chemistry, chemical physics, 25 (33), 22089-22102, 2023
[DOI: 10.1039/D3CP01216F]

Fischer, Taija L.
Bödecker, Margarethe
Schweer, Sophie M.
Dupont, Jennifer
Lepère, Valéria
et al.

[Contribution to a conference proceedings]
Optimization-based energy system planning under long-term uncertainty: Rapid Monte Carlo analysis using linear regression
36. International Conference on Efficiency, Cost, Optimization, Simulation and Environmental Impact of Energy Systems Las Palmas de Gran Canaria 2023-06-25 - 2023-06-30, 2023

Seele, Hagen
Tautorus, Jan
Reinert, Christiane
von der Aßen, Niklas Vincenz

[Journal Article]
High-efficiency design of combustion kinetic experiments based on genetic algorithm
Proceedings of the Combustion Institute, 39 (4), 5219-5228, 2023
[DOI: 10.1016/j.proci.2022.07.203]

Zhou, Zijun
Huang, Can
Lin, Keli
Wang, Yiru
Law, Chung K.
et al.

[Poster]
Combustion and emission characteristics of Diethoxymethane and Ethyl acetate at RCCI conditions, measured via two-photon laser-induced fluorescence
11. International Conference Fuel Science - From Production to Propulsion 2023-05-23 - 2023-05-25, 2023

Dewor, Raphael
Sastges, Mirko
Brands, Thorsten
Boxx, Isaac
Koß, Hans-Jürgen

[Journal Article]
Benchmarking metal-organic framework coatings from Large-Temperature-Jump experiments: Learning from trade-offs in mean powers versus characteristic times
Applied thermal engineering, 234, 121234, 2023
[DOI: 10.1016/j.applthermaleng.2023.121234]

Henninger, Matthias Roland Wolfgang
Gilges, Markus
Nissen, Tim
Cui, Frédéric S.
Rustam, Lina
et al.

[Preprint]
Gotta catch 'em all: Modeling All Discrete Alternatives for Industrial Energy System Transitions, 2023
[DOI: 10.48550/arXiv.2307.10687]

Schricker, Hendrik
Schuler, Benedikt
Reinert, Christiane
von der Aßen, Niklas Vincenz (Corresponding author)

[Contribution to a book, Journal Article]
Comparative Life Cycle Assessment of Pyrolysis - Recycling Germany's Sorted Mixed Plastic Waste
Chemie - Ingenieur - Technik, 95 (8), 1259-1267, 2023
[DOI: 10.1002/cite.202300041]

Hermanns, Ronja
Kraft, Axel
Hartmann, Philipp
Meys, Raoul (Corresponding author)

[Dissertation / PhD Thesis]
Optimization and life-cycle assessment of low-carbon energy systems from industrial to international scale, 2023
[DOI: 10.18154/RWTH-2023-07129]

Reinert, Christiane

[Journal Article]
Pathway exploration in low-temperature oxidation of a new-generation bio-hybrid fuel 1,3-dioxane
Proceedings of the Combustion Institute, 39 (1), 385-393, 2023
[DOI: 10.1016/j.proci.2022.09.057]

Huang, Can
Zhao, Yuqing
Roy, Indu Sekhar
Chen, Bingjie
Hansen, Nils
et al.

[Contribution to a book, Contribution to a conference proceedings]
Quantifying Operational Flexibility of Distributed Cross-Sectoral Energy Systems for the Integration of Volatile Renewable Electricity Generation
36th International Conference on Efficiency, Cost, Optimization, Simulation and Environmental Impact of Energy Systems (ECOS 2023) : Las Palmas de Gran Canaria, Spain, 25-30 June 2023 / ECOS 2023. - Vol. 5, 3339-3350, 2023
[DOI: 10.52202/069564-0300]

Berg, Sebastian
Blaume, Lasse
Nilges, Benedikt

[Poster]
Life cycle assessment of demand-side management in energy systems: A system-wide perspective
11. International Conference on Industrial Ecology, 2023

Nilges, Benedikt
Reinert, Christiane
von der Aßen, Niklas Vincenz

[Journal Article]
Comparative life cycle assessment of industrial demand-side management via operational optimization
Computers & chemical engineering : CACE, 177, 108323, 2023
[DOI: 10.1016/j.compchemeng.2023.108323]

Nilges, Benedikt
Burghardt, Célia
Roh, Kosan
Reinert, Christiane
von der Aßen, Niklas Vincenz (Corresponding author)

[Contribution to a conference proceedings]
A Computer-Aided Molecular Design Approach for Safe and Sustainable Refrigerants and Fire Extinguishing Agents
11th European Combustion Meeting Rouen 2023-04-26 - 2023-04-28, 2023

Raßpe-Lange, Lukas
Latz, Filip
Solbach, Florian
Hemprich, Carl
Roskosch, Dennis
et al.

[Poster]
A Computer-Aided Molecular Design Approach for Safe and Sustainable Refrigerants and Fire Extinguishing Agents
11th European Combustion Meeting Rouen 2023-04-26 - 2023-04-28, 2023

Raßpe-Lange, Lukas
Latz, Filip
Solbach, Florian
Hemprich, Carl
Roskosch, Dennis
et al.

[Poster]
COSMO-CAMPED - Solvent design for an extraction distillation considering molecular, process, equipment and economic optimization
International Conference on Properties and Phase Equilibria for Product and Process Design Tarragona 2023-05-21 - 2023-05-25, 2023

Raßpe-Lange, Lukas
Polte, Lukas
Latz, Filip
Jupke, Andreas
Leonhard, Kai

[Contribution to a conference proceedings]
A Power-to-Gas energy system: modeling and operational optimization for seasonal energy supply and storage
33rd European Symposium on Computer Aided Process Engineering : ESCAPE-33 / edited by Antonios C. Kokossis, Michael C. Georgiadis, Stratos Pistikopoulos, 2865-2870, 2023

Wang, Yifan
Bornemann, Luka
Reinert, Christiane
von der Aßen, Niklas Vincenz

[Contribution to a conference proceedings]
DynHeat: Heat Exchanger Network Design for Batch Processes via Dynamic Optimization
33rd European Symposium on Computer Aided Process Engineering : ESCAPE-33 / Editors: Antonios Kokossis, Michael Georgiadis, Stratos Pistikopoulos, 2745-2750, 2023

Hagedorn, Dörthe Franzisca
Demandt, Sören
Baader, Florian Joseph
Reinert, Christiane
von der Aßen, Niklas Vincenz

[Journal Article]
User-independent nonlinear modeling using adjusted spline-interpolated knots (UNMASK) and indirect hard modeling for deriving compositions from spectra with background signals
Chemometrics and intelligent laboratory systems, 239, 104851, 2023
[DOI: 10.1016/j.chemolab.2023.104851]

Wöhl, Justus
Oleksiyuk, Ivan
Bahr, Leo Alexander
Koß, Hans-Jürgen (Corresponding author)

[Journal Article]
Towards a European supply chain for CO2 capture, utilization, and storage by mineralization: Insights from cost-optimal design
Journal of CO2 utilization, 72, 102496, 2023
[DOI: 10.1016/j.jcou.2023.102496]

Ostovari, Hesam
Kuhrmann, Luis
Mayer, Fabian
Minten, Hannah
Bardow, André (Corresponding author)

[Poster]
Co-solvent selection for chemical absorption based on electrolyte PC-SAFT
International Conference on Properties and Phase Equilibria for Product and Process Design La Pineda, 2023

Neumaier, Lisa
Schricker, Hendrik
Rehner, Philipp
Schilling, Johannes
Bardow, André

[Journal Article]
Electrified hydrocarbon-to-oxygenates coupled to hydrogen evolution for efficient greenhouse gas mitigation
Nature Communications, 14 (1), 1954, 2023
[DOI: 10.1038/s41467-023-37382-3]

Leow, Wan Ru (Corresponding author)
Völker, Simon
Meys, Raoul
Huang, Jianan Erick
Jaffer, Shaffiq A.
et al.

[Conference Presentation]
Identifying the key environmental objectives for integrated fuel and process design
11. International Conference "Fuel Science - From Production to Propulsion" Aachen 2023-05-23 - 2023-05-25, 2023

Völker, Simon
Ackermann, Philipp
Viell, Jörn
Mitsos, Alexander
von der Aßen, Niklas Vincenz

[Conference Presentation]
Towards sustainable transport with hydroformylated Fischer-Tropsch fuels as drop-in fuels employing drop-in technology
11. International Conference "Fuel Science - From Production to Propulsion" Aachen 2023-05-23 - 2023-05-25, 2023

Völker, Simon
Groll, Niklas
Bachmann, Marvin
Müller, Leonard
Neumann, Marcel
et al.

[Poster]
The drop-in potential of hydroformylated Fischer-Tropsch fuels from CO2
Gordon Research Conference - Carbon Capture, Utilization and Storage Les Diablerets 2023-05-28 - 2023-06-02, 2023

Völker, Simon
Groll, Niklas
Bachmann, Marvin
Müller, Leonard
Neumann, Marcel
et al.

[Dissertation / PhD Thesis]
From life cycle assessment to optimal supply chains of CO $_{2}$ mineralization, 2023
[DOI: 10.18154/RWTH-2023-05673]

Ostovari, Hesam

[Journal Article]
Reference isotherms for water vapor sorption on nanoporous carbon: results of an interlaboratory study
Adsorption, 29 (3/4), 113-124, 2023
[DOI: 10.1007/s10450-023-00383-1]

Nguyen, Huong Giang T. (Corresponding author)
Toman, Blaza
van Zee, Roger D.
Prinz, Carsten
Thommes, Matthias
et al.

[Poster]
Decarbonizing the glass melting process: Assessing the potential of energy efficiency measures and fuel switching to hydrogen
2. Aachen Hydrogen Colloquium Aachen 2023-04-18 - 2023-04-19, 2023

Jost, Daniel
Kanzurova, Sara
Reinert, Christiane
von der Aßen, Niklas Vincenz

[Journal Article]
Bioprocess in‐line monitoring using Raman spectroscopy and Indirect Hard Modeling (IHM): A simple calibration yields a robust model
Biotechnology & bioengineering, 120 (7), 1857-1868, 2023
[DOI: 10.1002/bit.28424]

Müller, David Heinrich
Flake, Carsten
Brands, Thorsten
Koß, Hans-Jürgen (Corresponding author)

[Preprint]
The first HyDRA challenge for computational vibrational spectroscopy, 2023
[DOI: 10.26434/chemrxiv-2023-wd261-v2]

Fischer, Taija L.
Bödecker, Margarethe
Schweer, Sophie M.
Dupont, Jennifer
Lepère, Valéria
et al.

[Conference Presentation]
Optimal Data-driven Design Decisions for Industrial Energy System Transformation: SecMOD 4DecIdE
2. Workshop on Energy, Climate and ESG Oslo 2023-05-02 - 2023-05-02, 2023

Schricker, Hendrik
Kuperjans, Frederike
Kämper, Andreas
Reinert, Christiane
Bardow, André
et al.

[Dataset]
Data belonging to the publication "DISSOLVE: Database of ionic solutes’ solvation free energies", 2023
[DOI: 10.22000/883]

Nevolianis, Thomas
Baumann, Matthias
Viswanathan, Narasimhan
Kopp, Wassja Alexander
Leonhard, Kai

[Dataset]
Data belonging to the publication "Understanding the Monomer Deuteration Effect on the Transition Temperature of poly(N-isopropylacrylamide) Microgels in H2O", 2023
[DOI: 10.22000/857]

Nevolianis, Thomas
Scotti, Andrea
Petrunin, Alexander V.
Richtering, Walter
Leonhard, Kai

[Conference Presentation]
A hybrid in-silico and experimental kinetics study of glycidyl methacrylate-functionalized N-vinylcaprolactam microgel synthesis
APS March Meeting 2023, 2023

Nevolianis, Thomas
Wolter, Nadja
Kaven, Luise Friederike
Krep, Lukas
Huang, Can
et al.

[Journal Article]
Improved modeling of anharmonicity for furan microsolvation
Physical chemistry, chemical physics : PCCP, 25 (16), 11316-11323, 2023
[DOI: 10.1039/D2CP03907A]

Kopp, Wassja Alexander (Corresponding author)
Mödden, Matthias L. (Corresponding author)
Viswanathan, Narasimhan
Rath, Gabriel (Corresponding author)
Leonhard, Kai

[Journal Article]
Boosting operational optimization of multi-energy systems by artificial neural nets
Computers & chemical engineering, 173, 108208, 2023
[DOI: 10.1016/j.compchemeng.2023.108208]

Kämper, Andreas
Delorme, Roman
Leenders, Ludger
Bardow, André (Corresponding author)

[Journal Article]
Syngas from what? Comparative Life-Cycle Assessment for Syngas Production from Biomass, CO 2, and Steel Mill Off-Gases
ACS sustainable chemistry & engineering, 11 (14), 5356-5366, 2023
[DOI: 10.1021/acssuschemeng.2c05390]

Bachmann, Marvin
Völker, Simon
Kleinekorte, Johanna
Bardow, André (Corresponding author)

[Journal Article]
Influence of oxygen atoms and ring strain on the low-temperature oxidation pathways of 1,3-dioxolane
The journal of physical chemistry / A, 127 (13), 2992-2999, 2023
[DOI: 10.1021/acs.jpca.2c07753]

Roy, Indu Sekhar
Döntgen, Malte
Huang, Can
Kopp, Wassja Alexander
Leonhard, Kai (Corresponding author)

[Journal Article]
The role of carbon capture and storage to achieve net-zero energy systems: Trade-offs between economics and the environment
Renewable & sustainable energy reviews, 178, 113246, 2023
[DOI: 10.1016/j.rser.2023.113246]

Shu, David Yang
Deutz, Sarah
Winter, Benedikt Alexander
Baumgärtner, Nils Julius
Leenders, Ludger
et al.

[Journal Article]
Physical pooling functions in graph neural networks for molecular property prediction
Computers & chemical engineering, 172, 108202, 2023
[DOI: 10.1016/j.compchemeng.2023.108202]

Schweidtmann, Artur M.
Rittig, Jan Gerald
Weber, Jana M.
Grohe, Martin
Dahmen, Manuel
et al.

[Journal Article]
Solving the riddle of the high-temperature chemistry of 1,3-dioxolane
Proceedings of the Combustion Institute, 39 (1), 705-713, 2022
[DOI: 10.1016/j.proci.2022.07.194]

Wildenberg, Alina (Corresponding author)
Döntgen, Malte
Roy, Indu Sekhar
Huang, Can
Lefort, Benoîte
et al.

[Journal Article]
DISSOLVE: Database of ionic solutes’ solvation free energies
Fluid phase equilibria, 571, 113801, 2023
[DOI: 10.1016/j.fluid.2023.113801]

Nevolianis, Thomas
Baumann, Matthias
Viswanathan, Narasimhan
Kopp, Wassja Alexander
Leonhard, Kai (Corresponding author)

[Journal Article]
Towards circular plastics within planetary boundaries
Nature sustainability, 2023
[DOI: 10.1038/s41893-022-01054-9]

Bachmann, Marvin
Zibunas, Christian
Hartmann, Jan
Tulus, Victor
Suh, Sangwon
et al.

[Poster]
Decarbonization potential of the glass melting process via energyefficiency measures and fuel switching
13. Internationale Energiewirtschaftstagung an der TU Wien Wien, 2023

Jost, Daniel
Kanzurova, Sara
Reinert, Christiane
von der Aßen, Niklas Vincenz

[Journal Article]
Adsorption Dynamics and Hydrothermal Stability of MOFs Aluminium Fumarate, MIL-160 (Al), and CAU-10-H, and Zeotype TiAPSO for Heat Transformation Applications
Applied thermal engineering, 227, 120336, 2023
[DOI: 10.1016/j.applthermaleng.2023.120336]

Velte, Andreas
Laurenz, Eric
Rustam, Lina
Hügenell, Philipp P. C.
Henninger, Matthias Roland Wolfgang
et al.

[Preprint]
This is SpArta: Rigorous Optimization of Regionally Resolved Energy Systems by Spatial Aggregation and Decomposition, 2023

Reinert, Christiane
Nilges, Benedikt
Baumgärtner, Nils Julius
Bardow, André (Corresponding author)

[Journal Article]
Design of low-carbon multi-energy systems in the SecMOD framework by combining MILP optimization and life-cycle assessment
Computers & chemical engineering : CACE, 172, 108176, 2023
[DOI: 10.1016/j.compchemeng.2023.108176]

Reinert, Christiane
Nolzen, Niklas
Frohmann, Julia
Tillmanns, Dominik
Bardow, André (Corresponding author)

[Contribution to a conference proceedings]
Decarbonization potential of the glass melting process via energy efficiency measures and fuel switching
[13. Internationale Energiewirtschaftstagung, IEWT 2023, 2023-02-15 - 2023-02-17, Wien, Austria], 2023

Jost, Daniel
Kanzurova, Sara
Reinert, Christiane
von der Aßen, Niklas Vincenz (Corresponding author)

[Journal Article]
Understanding the monomer deuteration effect on the transition temperature of poly(N-isopropylacrylamide) microgels in H2O
Polymer Chemistry, 14 (13), 1447-1455, 2023
[DOI: 10.1039/D2PY01511K]

Nevolianis, Thomas
Scotti, Andrea (Corresponding author)
Petrunin, Alexander V.
Richtering, Walter
Leonhard, Kai (Corresponding author)

[Journal Article]
Molecular design of fuels for maximum spark-ignition engine efficiency by combining predictive thermodynamics and machine learning
Energy & fuels, 37 (3), 2213-2229, 2023
[DOI: 10.1021/acs.energyfuels.2c03296]

Fleitmann, Lorenz Heinrich Johannes
Ackermann, Philipp
Schilling, Johannes
Kleinekorte, Johanna
Rittig, Jan Gerald
et al.

[Book, Dissertation / PhD Thesis]
Novel acceleration methods and improved transition state finding approaches for the automatic exploration of reaction networks
Aachener Beiträge zur technischen Thermodynamik 40, 2023
[DOI: 10.18154/RWTH-2023-02213]

Krep, Lukas

[Contribution to a conference proceedings, Journal Article]
Automated Measurement of Liquid-liquid Equilibria using Raman Spectroscopy and Single Droplet Tracking in Microfluidic Plug Flow
Fluid phase equilibria, 567, 113718, 2022
[DOI: 10.1016/j.fluid.2022.113718]

Kasterke, Marvin Steven
Thien, Julia Jutta
Flake, Carsten
Brands, Thorsten
Bahr, Leo Alexander
et al.

[Contribution to a book, Journal Article]
A Reactive Molecular Dynamics Study of Chlorinated Organic Compounds. Part I : Force Field Development
ChemPhysChem, 25 (8), e202200786, 2022
[DOI: 10.1002/cphc.202200786]

Komissarov, Leonid
Krep, Lukas
Schmalz, Felix
Kopp, Wassja Alexander
Leonhard, Kai (Corresponding author)
et al.

[Journal Article]
Water and Ethanol as Refrigerant Mixture Enabling Adsorption Cooling below 0 °C
Energy technology, 2201158, 2023
[DOI: 10.1002/ente.202201158]

Lache, Marten (Corresponding author)
Kappelhoff, Christoph
Seiler, Jan Michael
Bardow, André (Corresponding author)

[Contribution to a book, Journal Article]
A Reactive Molecular Dynamics Study of Chlorinated Organic Compounds. Part II: A ChemTraYzer Study of Chlorinated Dibenzofuran Formation and Decomposition Processes
ChemPhysChem, 24 (7), e202200783, 2022
[DOI: 10.1002/cphc.202200783]

Krep, Lukas
Schmalz, Felix
Solbach, Florian
Komissarov, Leonid
Nevolianis, Thomas
et al.

[Journal Article]
Advanced spectral reconstruction (ASR) for setup-independent universal Raman spectroscopy models
Chemometrics and intelligent laboratory systems, 232, 104730, 2022
[DOI: 10.1016/j.chemolab.2022.104730]

Braeuer, Phillipp A. B. (Corresponding author)
Bahr, Leo Alexander
Koß, Hans-Jürgen
Will, Stefan

[Journal Article]
A comparative study on the combustion chemistry of two bio-hybrid fuels: 1,3-dioxane and 1,3-dioxolane
The journal of physical chemistry / A, 127 (1), 286-299, 2022
[DOI: 10.1021/acs.jpca.2c06576]

Hellmuth, Maximilian Alexander
Chen, Bingjie (Corresponding author)
Bariki, Chaimae
Cai, Liming
Cameron, Florence
et al.

[Journal Article]
Kinetic modeling of a poly(n-vinylcaprolactam-co-glycidyl methacrylate) microgel synthesis: a hybrid in silico and experimental approach
Industrial & engineering chemistry research : I & EC research, 62 (2), 893-902, 2023
[DOI: 10.1021/acs.iecr.2c03291]

Nevolianis, Thomas
Wolter, Nadja Anna
Kaven, Luise Friederike
Krep, Lukas
Huang, Can
et al.

[Contribution to a book, Journal Article]
COSMO‐CAMPED - Solvent Design for an Extraction Distillation Considering Molecular, Process, Equipment, and Economic Optimization
Chemie - Ingenieur - Technik : CIT, 95 (3), 416-426, 2022
[DOI: 10.1002/cite.202200144]

Polte, Lukas
Raßpe-Lange, Lukas
Latz, Filip
Jupke, Andreas
Leonhard, Kai (Corresponding author)

[Contribution to a book, Journal Article]
Bilevel optimization for joint scheduling of production and energy systems
Optimization and engineering, 24 (1), 499-537, 2022
[DOI: 10.1007/s11081-021-09694-0]

Leenders, Ludger
Hagedorn, Dörthe Franzisca
Djelassi, Hatim
Bardow, André
Mitsos, Alexander (Corresponding author)

[Contribution to a conference proceedings, Journal Article]
Evaluation of partially premixed turbulent flame stability from mixture fraction statistics in a slot burner
Combustion science and technology : CST, 195 (7), 1-17, 2018
[DOI: 10.1080/00102202.2018.1452393]

Kruse, Stephan (Corresponding author)
Mansour, Mohy S.
Elbaz, Ayman M.
Varea, Emilien
Grünefeld, Gerd
et al.

[Dataset]
Experimental data and optimised coordinates to the publication Geometrical Benchmarking and Analysis of Redox Potentials of Copper(I/II) Guanidine-Quinoline Complexes: Comparison of semi-empirical tight-binding and DFT methods and the challenge of describing the entatic state (Part III), 2022
[DOI: 10.22000/593]

Raßpe-Lange, Lukas
Hoffmann, Alexander
Gertig, Christoph Udo
Heck, Joshua
Leonhard, Kai
et al.

[Preprint]
Physical Pooling Functions in Graph Neural Networks for Molecular Property Prediction, 2022
[DOI: 10.48550/ARXIV.2207.13779]

Schweidtmann, Artur M.
Rittig, Jan Gerald
Weber, Jana M.
Grohe, Martin
Dahmen, Manuel
et al.

[Conference Presentation]
Real-time optimal operation of a power-to-gas energy supply system
Power-to-Gas Workshop Duisburg 2022-09-28 - 2023-09-28, 2022

Wang, Yifan

[Conference Presentation]
Carbon Border Adjustment to avoid carbon leakage for Europe's chemical industry? - A life-cycle based assessment
43. IAEE International Conference Tokyo, 2022

Minten, Hannah
Reinert, Christiane
Meys, Raoul
Probst, Benedict
Hausweiler, Julian
et al.

[Conference Presentation]
Towards circular & sustainable plastics - A global perspective
Wissenschaft trifft Wirtschaft: Industriewandel gestalten, Klimaneutralität beschleunigen, 2022

Zibunas, Christian

[Poster]
Life cycle optimization towards sustainable chemicals
Wissenschaft trifft Wirtschaft: Industriewandel gestalten, Klimaneutralität beschleunigen, 2022

Zibunas, Christian

[Poster]
The Planetary Footprint of Global Plastic Production
GRC Industrial Ecology Maine, 2022

Bachmann, Marvin
Zibunas, Christian
Tulus, Victor
Hartmann, Jan
Gosálbez, Gonzalo Guillén
et al.

[Poster]
Cost optimal pathways towards a circular carbon economy and net zero greenhouse gas emission in the chemical industry
GRC Industrial Ecology Maine, 2022

Zibunas, Christian
Meys, Raoul
Kätelhön, Arne
Bardow, André

[Contribution to a book, Journal Article]
The reactions of propanal/acetone with hydroperoxyl radicals: A theoretical and modeling study
Combustion and flame, 243, 112018, 2022
[DOI: 10.1016/j.combustflame.2022.112018]

Hou, Qifeng
Wu, Xiaoqing
Huang, Can
Liu, Zhongkai
Wu, Mengqi
et al.

[Contribution to a book]
Chlor-Alkali-Elektrolyse
Energieflexiblität in der deutschen Industrie: Band 2, 2022

Baitalow, Kristina
Lüthje, Jannik Torben
Mitsos, Alexander
Nilges, Benedikt
von der Aßen, Niklas Vincenz
et al.

[Conference Presentation]
Indirect Hard Modeling
Fachvortrag auf der Charisma Raman School 2022 Turin 2022-10-18 - 2022-10-19, 2022

Kasterke, Marvin Steven
Wöhl, Justus
Koß, Hans-Jürgen

[Poster]
Effiziente und automatisierte Vermessung von Flüssig-flüssig-Gleichgewichten mittels Mikrofluidik und Raman Spektroskopie
Thermodynamik Kolloquium 2022 Chemnitz 2022-09-26 - 2022-09-28, 2022

Thien, Julia Jutta
Kasterke, Marvin Steven
Brands, Thorsten
Bardow, André
Koß, Hans-Jürgen

[Poster]
Automated Platform for Microfluidic LLE Determination from Single Droplets
32. European Symposium on Applied Thermodynamics 2022 Graz 2022-07-17 - 2022-07-20, 2022

Kasterke, Marvin Steven
Thien, Julia Jutta
Brands, Thorsten
Bahr, Leo Alexander
Bardow, André
et al.

[Journal Article]
Molecular simulation study of co2 adsorption on lanthanum-based metal organic framework
Russian journal of physical chemistry / A, 96 (13), 3007-3014, 2022
[DOI: 10.1134/S0036024422130040]

Putra, Ilham Hutama
Yulia, Fayza
Zulkarnain, Ihsan Ahmad
Ruliandini, Rizky
Zulys, Agustino
et al.

[Contribution to a book, Journal Article]
From Molecules to Heat-Integrated Processes : Computer-Aided Design of Solvents and Processes Using Quantum Chemistry
Chemie - Ingenieur - Technik, 95 (33), 368-380, 2022
[DOI: 10.1002/cite.202200098]

Fleitmann, Lorenz Heinrich Johannes
Gertig, Christoph Udo
Scheffczyk, Jan David
Schilling, Johannes
Leonhard, Kai
et al.

[Journal Article]
Effect of methyl substituents, ring size, and oxygen on bond dissociation energies and ring-opening kinetics of five- and six-membered cyclic acetals
Combustion and flame, 242, 112211, 2022
[DOI: 10.1016/j.combustflame.2022.112211]

Huang, Can
Zhao, Yuqing
Roy, Indu Sekhar
Cai, Liming
Pitsch, Heinz
et al.

[Journal Article]
Sugar-to-what? An environmental merit order curve for biobased chemicals and plastics
ACS sustainable chemistry & engineering, 10 (48), 15648-15659, 2022
[DOI: 10.1021/acssuschemeng.2c03275]

Winter, Benedikt
Meys, Raoul
Sternberg, André
Bardow, André (Corresponding author)

[Journal Article]
High performance, but low cost and environmental impact? Integrated techno-economic and life cycle assessment of polyoxazolidinone as a novel high-performance polymer
Green chemistry : GC, 24 (23), 9143-9156, 2022
[DOI: 10.1039/D2GC02400D]

Bachmann, Marvin
Marxen, Annika
Schomäcker, Reinhard
Bardow, André (Corresponding author)

[Poster]
Dynamic modelling of PEM electrolyzers for flexible operation using artificial neural networks
772. WE-Heraeus Seminar "Metrology and process safety for hydrogen technologies & applications" 2022-10-10 - 2022-10-13, 2022

Anand, Karan
Kelm, Jonathan
Reinert, Christiane
von der Aßen, Niklas Vincenz

[Conference Presentation]
From Process Mass Intensity to System Mass Intensity
Green Chemistry & Engineering, 2022

Eichwald, Stefan
Ostovari, Hesam
von der Aßen, Niklas Vincenz

[Conference Presentation]
Hydrothermal Stability of Binder-Based Adsorptive Coatings with MOFs Aluminum Fumarate, MIL-160 (Al), and CAU-10-H and the Zeotype TiAPSO: Impact on Adsorption Dynamics
6. International Symposium on Innovative Materials and Processes in Energy Systems Barcelona 2022-10-25 - 2022-10-27, 2022

Velte, Andreas
Laurenz, Eric
Rustam, Lina
Hügenell, Philipp P. C.
Henninger, Matthias Roland Wolfgang
et al.

[Poster]
Dynamic modelling of PEM electrolyzers for flexible operation using artificial neural networks
772. WE-Heraeus Seminar "Metrology and process safety for hydrogen technologies & applications" 2022-10-10 - 2022-10-13, 2022

Anand, Karan
Kelm, Jonathan
Reinert, Christiane
von der Aßen, Niklas Vincenz

[Contribution to a book, Journal Article]
Tracing the technology development and trends of hard carbon anode materials - A market and patent analysis
Journal of energy storage, 56 (Part B), 105964, 2022
[DOI: 10.1016/j.est.2022.105964]

Liu, Huiting (Corresponding author)
Baumann, Manuel
Dou, Xinwei
Klemens, Julian
Schneider, Luca
et al.

[Journal Article]
New insights into the oxidation chemistry of pyrrole, an N-containing biomass tar component
Proceedings of the Combustion Institute, 39 (1), 73-84, 2022
[DOI: 10.1016/j.proci.2022.07.019]

Chen, Bingjie (Corresponding author)
Liu, Peng
Pelucchi, Matteo (Corresponding author)
Guidici, Clarissa
Maffei, Luna Pratali
et al.

[Conference Presentation]
Optimizing the Transition Towards Low-Carbon Utility Systems: Data-Driven Design Optimization for Multi-Objective Industrial Energy System Transformation
11. International Ruhr Energy Conference Essen 2022-09-27 - 2022-09-28, 2022

Schricker, Hendrik
Reinert, Christiane
von der Aßen, Niklas Vincenz

[Journal Article]
Resolving the Combustion Zones of Bio-hybrid Fuels in Reactivity Controlled Compression Ignition Combustion Using Tracer-Activated Luminescence Imaging
SAE International Journal of Fuels and Lubricants, 13 (1), 37-48, 2022
[DOI: 10.4271/04-16-01-0004]

Dewor, Raphael
Fleischmann, Maximilian
Brands, Thorsten
Pischinger, Stefan
Koß, Hans-Jürgen

[Journal Article]
What Shall We Do with Steel Mill Off-Gas : Polygeneration Systems Minimizing Greenhouse Gas Emissions
Environmental science & technology, 56 (18), 13294-13304, 2022
[DOI: 10.1021/acs.est.2c02888]

Kleinekorte, Johanna (Corresponding author)
Leitl, Matthias
Zibunas, Christian
Bardow, André

[Poster]
A Computational and Experimental Study of Deuteration Effect on Transition Temperature of PNIPAM Microgels
3. International Summer School on Functional Microgels and Microgel Systems, 2022

Nevolianis, Thomas
Scotti, Andrea
Petrunin, Alexander
Richtering, Walter
Leonhard, Kai

[Journal Article]
Making more from bio-based platforms: life cycle assessment and techno-economic analysis of N-vinyl-2-pyrrolidone from succinic acid
Green chemistry : GC, 24 (17), 6671-6684, 2022
[DOI: 10.1039/d2gc01219g]

Haus, Moritz Otto
Winter, Benedikt
Fleitmann, Lorenz Heinrich Johannes
Palkovits, Regina (Corresponding author)
Bardow, André (Corresponding author)

[Book, Dissertation / PhD Thesis]
Decarbonization of copper production by optimal demand response and Power-to-Hydrogen
Aachener Beiträge zur technischen Thermodynamik 37, 2022
[DOI: 10.18154/RWTH-2022-08678]

Röben, Fritz Thomas Carl

[Journal Article]
Wind data introduce error in time-series reduction for capacity expansion modelling
Energy : the international journal, 256, 124467, 2022
[DOI: 10.1016/j.energy.2022.124467]

Kuepper, Lucas Elias
Teichgraeber, Holger
Baumgärtner, Nils Julius
Bardow, André
Brandt, Adam R. (Corresponding author)

[Journal Article]
Direct Olivine Carbonation: Optimal Process Design for a Low-Emission and Cost-Efficient Cement Production
Industrial & engineering chemistry research : I & EC research, 61 (35), 13177-13190, 2022
[DOI: 10.1021/acs.iecr.2c00984]

Bremen, Andreas Michael
Strunge, Till
Ostovari, Hesam
Spütz, Hendrik
Mhamdi, Adel
et al.

[Journal Article]
Investigation of the chemical effect of pilot injection on main combustion in a gasoline controlled auto-ignition engine by in-cylinder measurements and numerical simulation of H2O2, HO2, and OH radicals
Combustion and flame, 244, 112283, 2022
[DOI: 10.1016/j.combustflame.2022.112283]

Steeger, Fabian (Corresponding author)
Raffius, Thomas Michael
Schulz, Christian
Ratz, Frederik
Morcinkowski, Bastian
et al.

[Contribution to a conference proceedings]
Environmental Process Optimization of Direct Air Capture of CO2
14. International Conference on Fundamentals of Adsorption Broomfield 2022-05-22 - 2022-05-27, 2022

Postweiler, Patrik
Engelpracht, Mirko
von der Aßen, Niklas Vincenz

[Contribution to a conference proceedings]
Extended-isotherm surrogates for Dynamic Simulation and Optimization of IAST-based Multicomponent Adsorption Equilibria
14. International Conference on Fundamentals of Adsorption Broomfield 2022-05-22 - 2022-05-27, 2022

Postweiler, Patrik
Zenk, Kai
Engelpracht, Mirko
Bardow, André
von der Aßen, Niklas Vincenz

[Book, Dissertation / PhD Thesis]
Harmonized life cycle assessment of technologies for carbon capture and utilization
Aachener Beiträge zur technischen Thermodynamik 36, 2022
[DOI: 10.18154/RWTH-2022-08250]

Müller, Leonard Jan

[Contribution to a book, Journal Article]
Integrated Process Design and Life Cycle Assessment of Carbon Monoxide Provision from Basic Oxygen Furnace Gas
Chemie - Ingenieur - Technik : CIT, 94 (10), 1524-1535, 2022
[DOI: 10.1002/cite.202200029]

Hense, Janik
Bachmann, Marvin
Polte, Lukas
von der Aßen, Niklas Vincenz
Jupke, Andreas (Corresponding author)

[Journal Article]
Correlation in quantum chemical calculation and its effect on the uncertainty of theoretically predicted rate coefficients and branching ratios
Combustion and flame, 242, 112189, 2022
[DOI: 10.1016/j.combustflame.2022.112189]

Huang, Can
Zhou, Zijun
Yang, Bin (Corresponding author)
Zhang, Feng (Corresponding author)

[Contribution to a book, Contribution to a conference proceedings]
Comparative Life Cycle Assessment of Demand-Side Management via Operational Optimization
32nd European Symposium on Computer Aided Process Engineering / Edited by Ludovic Montastruc, Stephane Negny, 1219-1224, 2022
[DOI: 10.1016/B978-0-323-95879-0.50204-6]

Nilges, Benedikt
Burghardt, Célia
Roh, Kosan
Reinert, Christiane
von der Aßen, Niklas Vincenz (Corresponding author)

[Contribution to a book, Contribution to a conference proceedings]
Combining optimization and life cycle assessment : Design of low-carbon multi-energy systems in the SecMOD framework
32nd European Symposium on Computer Aided Process Engineering / edited by Ludovic Montastruc, Stephane Negny. - Volume 1, 1201-1206, 2022
[DOI: 10.1016/B978-0-323-95879-0.50201-0]

Reinert, Christiane
Schellhas, Lars
Frohmann, Julia
Nolzen, Niklas
Tillmanns, Dominik
et al.

[Contribution to a book, Contribution to a conference proceedings]
Monetizing Flexibility in Day-Ahead and Continuous Intraday Electricity Markets
14th International Symposium on Process Systems Engineering / edited by Yoshiyuki Yamashita, Manabu Kano. - Volume 1, 1963-1968, 2022
[DOI: 10.1016/B978-0-323-85159-6.50327-4]

Nolzen, Niklas
Ganter, Alissa
Baumgärtner, Nils
Leenders, Ludger
Bardow, André (Corresponding author)

[Contribution to a book, Contribution to a conference proceedings]
Environmental Process Optimisation of Adsorption-based Direct Air Capture of CO2
HEAT POWERED CYCLES 2021, 171-185, 2022

Postweiler, Patrik
Engelpracht, Mirko
Gibelhaus, Andrej
von der Aßen, Niklas Vincenz

[Contribution to a book, Contribution to a conference proceedings]
The Potential of Heat and Mass Recovery for Adsorption Heat Transformers
HEAT POWERED CYCLES 2021, 57-71, 2022

Engelpracht, Mirko
Rezo, Daniel
Postweiler, Patrik
Gibelhaus, Andrej
Bardow, André

[Conference Presentation]
Optimization-based scheduling of heat-integrated multipurpose batch plants using a discrete temperature grid
35. International Conference on Efficiency, Cost, Optimization, Simulation and Environmental Impact of Energy Systems Copenhagen 2022-07-03 - 2022-07-07, 2022

Seele, Hagen
Steufmehl, Frederik
Hagedorn, Dörthe Franzisca
Kämper, Andreas
Reinert, Christiane
et al.

[Poster]
Exploring new reaction pathways with molecular simulations for the low-temperature chemistry of 1,3-dioxolane combustion
10. International Conference "Fuel Science - From Production to Propulsion Aachen 2022-05-10 - 2022-05-12, 2022

Schmalz, Felix
Huang, Can
Krep, Lukas
Kopp, Wassja Alexander
Wildenberg, Alina
et al.

[Conference Presentation]
Environmental potential of CO2-based polyoxymethylene ethers as diesel blends
19. International Conference on Carbon Dioxide Utilization Princeton 2022-06-26 - 2022-06-30, 2022

Völker, Simon
Deutz, Sarah
Burre, Jannik
Bongartz, Dominik
Omari, Ahmad
et al.

[Journal Article]
Efficient modeling of adsorption chillers: Avoiding discretization by operator splitting
International journal of refrigeration, 139, 180-191, 2022
[DOI: 10.1016/j.ijrefrig.2022.04.015]

Gibelhaus, Andrej
Postweiler, Patrik
Bardow, André (Corresponding author)

[Poster]
Optimal Experimental Design of Gravimetric Adsorption Isotherm Measurements
14. International Conference on Fundamentals of Adsorption Broomfield, 2022

Henninger, Matthias Roland Wolfgang
Seibel, Florian
Petrzik, Thomas
Spinrath, Fabian
Kececi, Can
et al.

[Journal Article]
SecMOD: An Open-Source Modular Framework Combining Multi-Sector System Optimization and Life-Cycle Assessment
Frontiers in energy research, 10, 884525, 2022
[DOI: 10.3389/fenrg.2022.884525]

Reinert, Christiane
Schellhas, Lars
Mannhardt, Jacob
Shu, David Yang
Kämper, Andreas
et al.

[Journal Article]
The demand response potential in copper production
Journal of cleaner production, 362, 132221, 2022
[DOI: 10.1016/j.jclepro.2022.132221]

Röben, Fritz T. C.
Liu, Diran
Reuter, Markus A.
Dahmen, Manuel
Bardow, André (Corresponding author)

[Poster]
The planetary footprints of global plastic production
Gordon Research Conference for Industrial Ecology Newry 2022-06-12 - 2022-06-17, 2022

Bachmann, Marvin

[Poster]
Cost-optimal pathways towards a circular carbon economy and net-zero greenhouse gas emissions in the chemical industry
Gordon Research Conference for Industrial Ecology Newry 2022-06-12 - 2022-06-17, 2022

Zibunas, Christian

[Poster]
Integrated fuel and process design combined with life cycle assessment
10. International Conference "Fuel Science - From Production to Propulsion" Aachen 2022-05-10 - 2022-05-12, 2022

Völker, Simon
Ackermann, Philipp
Viell, Jörn
Mitsos, Alexander
von der Aßen, Niklas Vincenz

[Contribution to a book, Journal Article]
Geometrical benchmarking and analysis of redox potentials of copper(I/II) guanidine-quinoline complexes : Comparison of semi-empirical tight-binding and DFT methods and the challenge of describing the entatic state (part III)
Journal of computational chemistry, 44 (3), 319-328, 2022
[DOI: 10.1002/jcc.26927]

Raßpe-Lange, Lukas
Hoffmann, Alexander
Gertig, Christoph Udo
Heck, Joshua
Leonhard, Kai (Corresponding author)
et al.

[Journal Article]
Completely Computational Model Setup for Spectroscopic Techniques : The Ab Initio Molecular Dynamics Indirect Hard Modeling Approach
The journal of physical chemistry / A, 126 (18), 2845-2853, 2022
[DOI: 10.1021/acs.jpca.2c01061]

Wöhl, Justus
Kopp, Wassja Alexander
Yevlakhovych, Iryna
Bahr, Leo Alexander
Koß, Hans-Jürgen
et al.

[Journal Article]
Open‐Source vapor compression library (VCLib): Heat pump modeling for education and research
Computer applications in engineering education : CAE, 30 (5), 1498-1509, 2022
[DOI: 10.1002/cae.22540]

Vering, Christian (Corresponding author)
Engelpracht, Mirko
Göbel, Stephan Antonius
Hoseinpoori, Sina
Wüllhorst, Fabian
et al.

[Journal Article]
Waste Heat to Power : Full-Cycle Analysis of a Thermally Regenerative Flow Battery
Energy technology, 10 (8), 2200152, 2022
[DOI: 10.1002/ente.202200152]

Engelpracht, Mirko (Corresponding author)
Kohrn, Markus Ferdinand
Tillmanns, Dominik
Seiler, Jan
Bardow, André (Corresponding author)

[Journal Article]
Simultaneous mixed-integer dynamic scheduling of processes and their energy systems
AIChE journal, 68 (8), e17741, 2022
[DOI: 10.1002/aic.17741]

Baader, Florian Joseph
Bardow, André
Dahmen, Manuel (Corresponding author)

[Journal Article]
The Thermo-Economic Potential of ORC-Based Pumped-Thermal Electricity Storage : Insights from the Integrated Design of Processes and Working Fluids
Energy technology, 10 (7), 2200182, 2022
[DOI: 10.1002/ente.202200182]

Tillmanns, Dominik
Pell, Dominik
Schilling, Johannes
Bardow, André (Corresponding author)

[Contribution to a conference proceedings, Journal Article]
Cost-optimal pathways towards net-zero chemicals and plastics based on a circular carbon economy
Computers & chemical engineering : CACE, 162, 107798, 2022
[DOI: 10.1016/j.compchemeng.2022.107798]

Zibunas, Christian
Meys, Raoul
Kätelhön, Arne
Bardow, André (Corresponding author)

[Journal Article]
A climate-optimal supply chain for CO$_{2}$ capture, utilization, and storage by mineralization
Journal of cleaner production, 360, 131750, 2022
[DOI: 10.1016/j.jclepro.2022.131750]

Ostovari, Hesam
Müller, Leonard Jan
Mayer, Fabian
Bardow, André (Corresponding author)

[Journal Article]
Optimally designed solvent system for lignocellulosic biomass conversion supported by property predictions
Sustainable energy & fuels, 6 (11), 2734-2744, 2022
[DOI: 10.1039/D2SE00187J]

Karacasulu, Kaan
Echtermeyer, Alexander Walter Wilhelm
Kabatnik, Christoph
Scheffczyk, Jan David
Bardow, André
et al.

[Book]
Ammonia as ship fuel, 2022

Ehlers, Lars
Franzelius, Wolfgang
von der Aßen, Niklas Vincenz
Deutz, Sarah
Dickhof, Erik
et al.

[Journal Article]
Closed-Loop Adsorption-Based Upgrading of Heat from 90 to 110 °C: Experimental Demonstration and Insights for Future Development
Energy technology, 10 (7), 2200251, 2022
[DOI: 10.1002/ente.202200251]

Engelpracht, Mirko
Driesel, Jannik
Nießen, Oliver
Henninger, Matthias Roland Wolfgang
Seiler, Jan
et al.

[Journal Article]
A framework for the design & operation of a large-scale wind-powered hydrogen electrolyzer hub
International journal of hydrogen energy, 47 (14), 8671-8686, 2022
[DOI: 10.1016/j.ijhydene.2021.12.225]

Cooper, Nathanial (Corresponding author)
Horend, Christian
Röben, Fritz
Bardow, Andre
Shah, Nilay

[Journal Article]
Blend for all or pure for few? Well-to-wheel life cycle assessment of blending electricity-based OME$_{3-5}$ with fossil diesel
Sustainable energy & fuels, 6 (8), 1959-1973, 2022
[DOI: 10.1039/D1SE01758F]

Völker, Simon
Deutz, Sarah
Burre, Jannik
Bongartz, Dominik
Omari, Ahmad
et al.

[Journal Article]
Efficient Reaction Space Exploration with ChemTraYzer-TAD
Journal of chemical information and modeling, 62 (4), 890-902, 2022
[DOI: 10.1021/acs.jcim.1c01197]

Krep, Lukas
Roy, Indu Sekhar
Kopp, Wassja Alexander
Schmalz, Felix
Huang, Can
et al.

[Dataset]
Supplementary Information for Prof Leonhard’s group submission for HyDRA challenge, 2022
[DOI: 10.18154/RWTH-2022-02243]

Viswanathan, Narasimhan
Nevolianis, Thomas
Rath, Gabriel
Kopp, Wassja Alexander
Leonhard, Kai

[Contribution to a book, Journal Article]
Optimal experimental design of physical property measurements for optimal chemical process simulations
Fluid phase equilibria, 557, 113420, 2022
[DOI: 10.1016/j.fluid.2022.113420]

Fleitmann, Lorenz Heinrich Johannes
Pyschik, Jan
Wolff, Ludger Wolfgang Michael
Schilling, Johannes
Bardow, André (Corresponding author)

[Contribution to a book, Journal Article]
Priorities for supporting emission reduction technologies in the cement sector - A multi-criteria decision analysis of CO2 mineralisation
Journal of cleaner production, 340, 130712, 2022
[DOI: 10.1016/j.jclepro.2022.130712]

Strunge, Till (Corresponding author)
Naims, Henriette (Corresponding author)
Ostovari, Hesam (Corresponding author)
Olfe-Kräutlein, Barbara (Corresponding author)

[Journal Article]
Techno-economic assessment and carbon footprint of processes for the large-scale production of oxymethylene dimethyl ethers from carbon dioxide and hydrogen
Sustainable energy & fuels, 6 (3), 528-549, 2021
[DOI: 10.1039/D1SE01270C]

Mantei, Franz
Ali, Ramy E.
Baensch, Cornelie
Völker, Simon
Haltenort, Philipp
et al.

[Book, Dissertation / PhD Thesis]
Uncertainty analysis in matrix-based life cycle assessment
Aachener Beiträge zur technischen Thermodynamik 34, 2022
[DOI: 10.18154/RWTH-2022-00057]

von Pfingsten, Sarah

[Contribution to a book, Journal Article]
The metabolic potential of plastics as biotechnological carbon sources - Review and targets for the future
Metabolic engineering, 71, 77-98, 2021
[DOI: 10.1016/j.ymben.2021.12.006]

Tiso, Till
Winter, Benedikt
Wei, Ren
Hee, Johann
de Witt, Jan
et al.

[Journal Article]
A versatile fibre-based setup for two-line atomic fluorescence thermometry in aerosol processes
Journal of quantitative spectroscopy & radiative transfer, 278, 108042, 2021
[DOI: 10.1016/j.jqsrt.2021.108042]

Labus, Markus (Corresponding author)
Lang, Peter
Bahr, Leo Alexander
Huber, Franz J. T.
Will, Stefan

[Journal Article]
Determining structure and action mechanism of LBF14 by molecular simulation
Journal of biomolecular structure & dynamics : JBSD, 40 (22), 11977-11988, 2021
[DOI: 10.1080/07391102.2021.1967783]

Solbach, Florian
Bernardi, Austen
Bansal, Shivani
Budamagunta, Madhu S.
Krep, Lukas
et al.

[Contribution to a book, Journal Article]
Systemic Risk: The Threat to Societal Diversity and Coherence
Risk analysis, 42 (9), 1921-1934, 2021
[DOI: 10.1111/risa.13654]

Renn, Ortwin (Corresponding author)
Lucas, Klaus

[Contribution to a book, Journal Article]
Theory of Systemic Risks: Insights from Physics and Chemistry
Risk analysis, 42 (9), 1935-1944, 2020
[DOI: 10.1111/risa.13558]

Lucas, Klaus (Corresponding author)

[Poster]
Automatic PES mapping from Reaxff simulations with ChemTraYzer
International Workshop on Molecular Modeling and Simulation 2021-03-01 - 2021-03-01, 2021

Huang, Can
Schmalz, Felix
Kopp, Wassja Alexander
Krep, Lukas
Kröger, Leif Christian
et al.

[Conference Presentation]
ChemTraYzing Ionic Liquids
International Workshop on Molecular Modeling and Simulation 2021-03-01 - 2021-03-01, 2021

Kopp, Wassja Alexander
Schmalz¹, F.
Mehlis¹, D.
Papusha¹, M.
Leonhard, Kai

[Poster]
Integrating power-to-gas in low-carbon energy systems: A multi-objective optimization of operation strategies
Jahrestreffen der ProcessNet-Fachgruppe Energieverfahrenstechnik 2021-03-03 - 2021-03-04, 2021

Wang, Yifan
Kämper, Andreas
von der Aßen, Niklas Vincenz

[Contribution to a conference proceedings]
Integrating power-to-gas in low-carbon energy systems: A multi-objective optimization of operation strategies
ProcessNet-Fachgruppe Energieverfahrenstechnik 2021-03-03 - 2021-03-04, 2021

Wang, Yifan
Kämper, Andreas
von der Aßen, Niklas Vincenz

[Poster]
Charakterisierung der Dünnfilmverdampfung von Wasser-Ethanol-Gemischen als Kältemittel für Kälteanwendungen unter 0 °C
Thermodynamik-Kolloquium 2021, 2021

Lache, Marten
Nissen, Tim
Unkhoff, Jann
Seiler, Jan
Bardow, André

[Poster]
Automated Platform for Microfluidic LLE Determination from Single Droplets
Thermodynamik Kolloquium 2021 2023-09-27 - 2023-09-29, 2021

Kasterke, Marvin Steven
Thien, Julia Jutta
Brands, Thorsten
Bahr, Leo Alexander
Bardow, André
et al.

[Conference Presentation]
Exploration von Reaktionspfaden mit dem ChemTraYzer
Thermodynamik-Kolloquium 2021 online 2021-09-27 - 2021-09-29, 2021

Huang, Can
Schmalz, Felix
Kopp, Wassja Alexander
Krep, Lukas
Leonhard, Kai

[Poster]
Advanced Taylor Dispersion for Multicomponent Diffusion Coefficients
Thermodynamik-Kolloquium 2021 Freiberg 2021-09-27 - 2021-09-29, 2021

Weißenberg, Felix (First author)
Brands, Thorsten
Bahr, Leo Alexander
Koß, Hans-Jürgen (Corresponding author)

[Poster]
Experimental determination of diffusion coefficients by combined Taylor dispersion and Raman spectroscopy
9. International Conference "Fuel Science - From Production to Propulsion" Aachen 2021-06-22 - 2021-06-24, 2021

Weißenberg, Felix (First author)
Bahr, Leo Alexander
Brands, Thorsten
Koß, Hans-Jürgen

[Poster]
Characterizing kinetics of MOFs for adsorption cooling:IR-LTJ experiments of Al-fumarate and CAU-10(Al)-H
4. European Conference on Metal Organic Frameworks and Porous Polymers online 2021-09-10 - 2021-09-15, 2021

Henninger, Matthias Roland Wolfgang
Rustam, Lina
Ernst, Sebastian-Johannes
Velte, Andreas
Seiler, Jan Michael
et al.

[Conference Presentation]
Characterizing Kinetics of MOFs for Adsorption Cooling: IR-LTJ Experiments of Al-Fumarateand CAU-10(Al)-H
4. European Conference on Metal Organic Frameworks and Porous Polymers online 2021-09-10 - 2021-09-15, 2021

Henninger, Matthias Roland Wolfgang
Rustam, Lina
Ernst, Sebastian-Johannes
Velte, Andreas
Seiler, Jan Michael
et al.

[Contribution to a conference proceedings]
Exploring the Reaction Network of 1, 3-Dioxolane-Hydroperoxide Radical Low-Temperature Oxidation with a Novel Molecular Dynamics Acceleration Technique
10th European Combustion Meeting : April 14-15, 2021, virtual edition : proceedings volume / local organizing committee: Fabrizio Scala [und 20 weitere], 148-152, 2021

Krep, Lukas
Huang, Can
Kopp, Wassja Alexander
Leonhard, Kai (Corresponding author)

[Contribution to a conference proceedings]
Analysis of recrossing in molecular dynamics simulations from energy fluctuations
10th European Combustion Meeting : April 14-15, 2021, virtual edition : proceedings volume / local organizing committee: Fabrizio Scala [und 20 weitere], 92-96, 2021

Kopp, Wassja Alexander
Schmalz, Felix
Krep, Lukas
Dietze, Patrick
Leonhard, Kai (Corresponding author)

[Contribution to a conference proceedings]
Reaction Kinetics for low-temperature oxidation of 1,3-dioxolane
10th European Combustion Meeting : April 14-15, 2021, virtual edition : proceedings volume / local organizing committee: Fabrizio Scala [und 20 weitere], 210-213, 2021

Roy, Indu Sekhar
Huang, Can
Leonhard, Kai (Corresponding author)

[Journal Article]
Coupled Anharmonic Thermochemistry from Stratified Monte Carlo Integration
Journal of chemical information and modeling, 61 (12), 5853-5870, 2021
[DOI: 10.1021/acs.jcim.1c00668]

Rath, Gabriel (Corresponding author)
Kopp, Wassja Alexander
Leonhard, Kai

[Journal Article]
The impact of top-quark modelling on the exclusion limits in tt¯tt¯+DM searches at the LHC
The European physical journal / C, 81 (11), 1029, 2021
[DOI: 10.1140/epjc/s10052-021-09831-0]

Hermann, Julian
Worek, Malgorzata (Corresponding author)

[Contribution to a book, Journal Article]
Designed to Be Green, Economic, and Efficient : A Ketone-Ester-Alcohol-Alkane Blend for Future Spark-Ignition Engines
ChemSusChem, 14 (23), 5254-5264, 2021
[DOI: 10.1002/cssc.202101704]

Ackermann, Philipp
Braun, Karsten E.
Burkardt, Patrick
Heger, Sebastian
König, Andrea
et al.

[Journal Article]
A Comprehensive Experimental and Kinetic Modeling Study of the Combustion Chemistry of Diethoxymethane
Energy & fuels, 35 (19), 16086-16100, 2021
[DOI: 10.1021/acs.energyfuels.1c01988]

Jacobs, Sascha
Döntgen, Malte
Alquaity, Awad B. S.
Hesse, Raik
Kruse, Stephan
et al.

[Conference Presentation]
Completely Non-Invasive pH-Monitoring in Bioprocesses using Good’s Buffers and Raman Spectroscopy
5. European Conference on Process Analytics and Control Technology online 2021-11-15 - 2021-11-17, 2021

Müller, David Heinrich
Flake, Carsten
Bahr, Leo Alexander
Brands, Thorsten
Koß, Hans-Jürgen

[Journal Article]
Corrigendum to "Decarbonizing copper production by power-to-hydrogen: A techno-economic analysis" [J. Clean. Prod. 306 (2021) 127191]
Journal of cleaner production, 322, 129144, 2021
[DOI: 10.1016/j.jclepro.2021.129144]

Röben, Fritz T. C.
Schöne, Nikolas
Bau, Uwe
Reuter, Markus A.
Dahmen, Manuel
et al.

[Journal Article]
Is electrochemical CO$_{2}$ reduction the future technology for power-to-chemicals? An environmental comparison with H$_{2}$-based pathways
Sustainable energy & fuels, 5 (22), 5748-5761, 2021
[DOI: 10.1039/D1SE00975C]

Wyndorps, Jan
Ostovari, Hesam
von der Aßen, Niklas Vincenz (Corresponding author)

[Journal Article]
Achieving net-zero greenhouse gas emission plastics by a circular carbon economy
Science, 374 (6563), 71-76, 2021
[DOI: 10.1126/science.abg9853]

Meys, Raoul (Corresponding author)
Kätelhön, Arne
Bachmann, Marvin
Winter, Benedikt
Zibunas, Christian
et al.

[Book, Dissertation / PhD Thesis]
Prediction of reaction rate constants for the synthesis of microgels
Aachener Beiträge zur technischen Thermodynamik 33, 2021

Kröger, Leif Christian

[Journal Article]
Formation of Substituted Alkyls as Precursors of Peroxy Radicals with a Rapid H-Shift in the Atmosphere
The journal of physical chemistry letters, 12 (36), 8790-8797, 2021
[DOI: 10.1021/acs.jpclett.1c02503]

Wu, Xiaoqing
Huang, Can
Chai, Jiajue
Zhang, Feng (Corresponding author)

[Journal Article]
Method for Automatic Generation of Indirect Hard Models using crossvalidation (MAGIC) for the spectral analysis of mixture spectra
Chemometrics and intelligent laboratory systems, 217, 104419, 2021
[DOI: 10.1016/j.chemolab.2021.104419]

Wöhl, Justus
Meltzow, F.
Koß, Hans-Jürgen (Corresponding author)

[Journal Article]
Exploring the fuel structure dependence of laminar burning velocity : A machine learning based group contribution approach
Combustion and flame, 232, 111525, 2021
[DOI: 10.1016/j.combustflame.2021.111525]

vom Lehn, Florian Alexander (Corresponding author)
Cai, Liming
Copa Cáceres, Bruno
Pitsch, Heinz

[Conference Presentation]
Adaptive Rolling Horizon for operational optimization of multi-energy systems
34r. International Conference On Efficiency, Cost, Optimization, Simulation and Environmental Impact of Energy Systems Taormina 2021-06-27 - 2021-07-02, 2021

Kämper, Andreas
Geers, Philipp
Leenders, Ludger
Bardow, André

[Conference Presentation]
HENDling: Simultaneous Heat Exchanger Network Design and Scheduling for Batch Processes
34r. International Conference On Efficiency, Cost, Optimization, Simulation and Environmental Impact of Energy Systems Taormina 2021-06-27 - 2021-07-02, 2021

Hagedorn, Dörthe Franzisca
Balhorn, Lukas Schulze
Seele, Hagen
Kämper, Andreas
von der Aßen, Niklas Vincenz

[Journal Article]
AutoMoG 3D : Automated Data-Driven Model Generation of Multi-Energy Systems Using Hinging Hyperplanes
Frontiers in energy research, 9, 719658, 2021
[DOI: 10.3389/fenrg.2021.719658]

Kämper, Andreas (Corresponding author)
Holtwerth, Alexander
Leenders, Ludger
Bardow, André (Corresponding author)

[Poster]
Fuel design by combined machine learning and predictive thermodynamics
9. Internationale Konferenz - Fuel Science- From Production to Propulsion Aachen digital 2021-06-22 - 2021-06-24, 2021

Fleitmann, Lorenz Heinrich Johannes
Ackermann, Philipp
Rittig, Jan Gerald
Schweidtmann, Artur M.
König, Andrea
et al.

[Poster]
Fuel design by combined machine learning and predictive thermodynamics
Fuel Science - From Production to Propulsion Aachen digital 2021-06-22 - 2021-06-24, 2021

Fleitmann, Lorenz Heinrich Johannes
Ackermann, Philipp
Rittig, Jan Gerald
Schweidtmann, Artur M.
König, Andrea
et al.

[Conference Presentation]
Design and Multi-Disciplinary Assessment of a New FSC Blend for Ultra-High Efficiency Engines
Fuel Science - From Production to Propulsion Aachen digital 2021-06-22 - 2021-06-24, 2021

Dahmen, Manuel
Burkhardt, Patrick
Ackermann, Philipp
Braun, Karsten E.
Heger, Sebastian
et al.

[Poster]
Expanding the scope of computer-aided molecular and process design
9. International Conference Fuel Science - From Production to Propulsion online 2021-06-22 - 2021-06-24, 2021

Hermann, Julian
Raßpe-Lange, Lukas
Kaminski, Sebastian
Leonhard, Kai

[Journal Article]
CAT-COSMO-CAMPD : Integrated in silico design of catalysts and processes based on quantum chemistry
Computers & chemical engineering : CACE, 153, 107438, 2021
[DOI: 10.1016/j.compchemeng.2021.107438]

Gertig, Christoph Udo
Fleitmann, Lorenz Heinrich Johannes
Hemprich, Carl
Hense, Janik
Bardow, André (Corresponding author)
et al.

[Conference Presentation]
Toward carbon-neutral cement industry via CO2 mineralization
18. International Conference on Carbon Dioxide Utilization online 2021-07-20 - 2021-07-20, 2021

Ostovari, Hesam
Müller, Leonard Jan
Skocek, Jan
Bardow, André

[Journal Article]
An insight into the reaction kinetics of CH3 + O2(a1Δg) and its enhancement effect on methane ignition
Proceedings of the Combustion Institute, 38 (1), 691-698, 2020
[DOI: 10.1016/j.proci.2020.07.121]

Zhang, Feng (Corresponding author)
Huang, Can
Wu, Xiaoqing
Xie, Binbin
Shen, Lin

[Journal Article]
Combined experimental and theoretical study on photoionization cross sections of benzonitrile and o/m/p-cyanotoluene
The journal of chemical physics, 154 (24), 244301, 2021
[DOI: 10.1063/5.0053119]

Huang, Jiabin
Huang, Can
Wu, Xiaoqing
Hou, Qifeng
Tian, Guangjun
et al.

[Journal Article]
Comparing pathways for electricity-based production of dimethoxymethane as a sustainable fuel
Energy & environmental science (7), 3686-3699, 2021
[DOI: 10.1039/D1EE00689D]

Burre, Jannik
Bongartz, Dominik
Deutz, Sarah
Asmelash, Chalachew Mebrahtu
Osterthun, Ole
et al.

[Report]
Industriewärme klimaneutral: Strategien und Voraussetzungen für die Transformation, 2021

Begemann, Tania
Budt, Marcus
Glasner, Christoph
Herrig, Stefan
Reinert, Christiane
et al.

[Poster]
Systematic testing of highly reduced mechanisms for high-temperature ignition
38. International Symposium on Combustion online 2021-01-24 - 2021-01-29, 2021

Kopp, Wassja Alexander
Niessen, Oliver
Minwegen, Heiko Julian
Beeckmann, Joachim
Pitsch, Heinz
et al.

[Poster]
Anharmonicity in Hydrogen Abstraction by HO2
10. European Combustion Meeting online 2021-04-14 - 2021-04-15, 2021

Niessen, Oliver
Kopp, Wassja Alexander
Minwegen, Heiko Julian
Beeckmann, Joachim
Leonhard, Kai

[Journal Article]
Environmental impacts of the future German energy system from integrated energy systems optimization and dynamic life cycle assessment
Computers & chemical engineering, 153, 107406, 2021
[DOI: 10.1016/j.compchemeng.2021.107406]

Reinert, Christiane
Deutz, Sarah
Minten, Hannah
Dörpinghaus, Lukas
von Pfingsten, Sarah
et al.

[Conference Presentation]
New insights in the combustion behavior of 1,3-Dioxolane
9. International Conference "Fuel Science - From Production to Propulsion" online 2021-06-22 - 2021-06-24, 2021

Heufer, Karl Alexander
Wildenberg, Alina
Döntgen, Malte
Roy, Indu Sekhar
Hellmuth, Maximilian Alexander
et al.

[Contribution to a book, Contribution to a conference proceedings]
Flexibility-expansion planning for enhanced balancing-power market participation of decentralized energy systems
31th European Symposium on Computer Aided Process Engineering : ESCAPE-31 / edited by Metin Türkay and Rafiqul Gani, 1841-1846, 2021
[DOI: 10.1016/B978-0-323-88506-5.50285-0]

Nolzen, Niklas
Leenders, Ludger
Bardow, André (Corresponding author)

[Contribution to a book, Contribution to a conference proceedings]
Optimal physical property data for process simulations by optimal experimental design
31th European Symposium on Computer Aided Process Engineering : ESCAPE-31 / edited by Metin Türkay and Rafiqul Gani, 851-857, 2021
[DOI: 10.1016/B978-0-323-88506-5.50133-9]

Fleitmann, Lorenz Heinrich Johannes
Pyschik, Jan
Wolff, Ludger Wolfgang Michael
Bardow, André (Corresponding author)

[Contribution to a book, Contribution to a conference proceedings]
Tailor-made solvents by integrated design of molecules and CO2 absorption processes
31th European Symposium on Computer Aided Process Engineering : ESCAPE-31 / edited by Metin Türkay and Rafiqul Gani, 197-202, 2021
[DOI: 10.1016/B978-0-323-88506-5.50032-2]

Schilling, Johannes
Hopp, Madlen
Gross, Joachim
Bardow, André (Corresponding author)

[Conference Presentation]
Well-to-Wheel Life Cycle Assessment of Blending OME3-5 With Fossil Diesel
9. International Conference on Fuel Science Aachen 2021-07-22 - 2021-07-24, 2021

Völker, Simon
Deutz, Sarah
Burre, Jannik
Bongartz, Dominik
Omari, Ahmad
et al.

[Journal Article]
Decarbonizing copper production by power-to-hydrogen : A techno-economic analysis
Journal of cleaner production, 306, 127191, 2021
[DOI: 10.1016/j.jclepro.2021.127191]

Röben, Fritz T. C.
Schöne, Nikolas
Bau, Uwe
Reuter, Markus A.
Dahmen, Manuel
et al.

[Journal Article]
Experimental and theoretical investigation of the combustion characteristics of di-tert-butyl peroxide
Proceedings of the Combustion Institute, 38 (1), 469-477, 2020
[DOI: 10.1016/j.proci.2020.06.292]

Preußker, Matthias (Corresponding author)
Döntgen, Malte
Firaha, D.
Leonhard, Kai
Heufer, Karl Alexander

[Journal Article]
COSMO-susCAMPD : Sustainable Solvents from Combining Computer-Aided Molecular and Process Design with Predictive Life Cycle Assessment
Chemical engineering science, 116863, 2021
[DOI: 10.1016/j.ces.2021.116863]

Fleitmann, Lorenz Heinrich Johannes (Corresponding author)
Kleinekorte, Johanna
Leonhard, Kai
Bardow, André

[Conference Presentation]
A novel optode for non-invasive pH monitoring in bioprocesses:pH-assessment based on Good’s buffers and Raman spectroscopy
ACHEMA Pulse 2021 Frankfurt 2021-06-15 - 2021-06-16, 2021

Müller, David Heinrich
Flake, Carsten
Bahr, Leo Alexander
Brands, Thorsten
Koß, Hans-Jürgen

[Poster]
Spectrally and spatially resolved line imaging combined with double 2D luminescence imaging in RCCI-like combustion of bio-hybrid fuels on a high-pressure chamber
9. International Conference Fuel Science - From Production to Propulsion online 2021-06-22 - 2021-06-24, 2021

Dewor, Raphael
Fleischmann, Maximilian
Brands, Thorsten
Koß, Hans-Jürgen
Pischinger, Stefan

[Journal Article]
Scheduling coordination of multiple production and utility systems in a multi-leader multi-follower Stackelberg game
Computers & chemical engineering : CACE, 150, 107321, 2021
[DOI: 10.1016/j.compchemeng.2021.107321]

Leenders, Ludger
Ganz, Kirstin
Bahl, Björn
Hennen, Maike Renate
Baumgärtner, Nils Julius
et al.

[Journal Article]
Molecular mechanisms by which tetrahydrofuran affects CO2 hydrate Growth : Implications for carbon storage
The chemical engineering journal, 418, 129423, 2021
[DOI: 10.1016/j.cej.2021.129423]

Phan, Anh
Schlösser, Henrik
Striolo, Alberto (Corresponding author)

[Book, Dissertation / PhD Thesis]
Debottlenecking the evaporator in water-based adsorption chillers
Aachener Beiträge zur Technischen Thermodynamik 32, 2021
[DOI: 10.18154/RWTH-2021-04928]

Seiler, Jan Michael

[Conference Presentation]
CO2 mineralization for carbon-neutral cement industry
International Conference on Accelerated Carbonation for Environmental and Material Engineering 2021-05-16 - 2021-05-19, 2021

Ostovari, Hesam
Müller, Leonard Jan
Skocek, Jan
Bardow, André

[Journal Article]
Distribution and toxicity of persistent organic pollutants and methoxylated polybrominated diphenylethers in different tissues of the green turtle Chelonia mydas
Environmental pollution, 277, 116795, 2021
[DOI: 10.1016/j.envpol.2021.116795]

Weltmeyer, Antonia
Dogruer, Gülsah
Hollert, Henner
Ouellet, Jacob D.
Townsend, Kathy
et al.

[Journal Article]
Life-Cycle Assessment of Sector-Coupled National Energy Systems : Environmental Impacts of Electricity, Heat, and Transportation in Germany Till 2050
Frontiers in energy research, 9, 621502, 2021
[DOI: 10.3389/fenrg.2021.621502]

Baumgärtner, Nils Julius
Deutz, Sarah
Reinert, Christiane
Nolzen, Niklas
Kuepper, Lucas Elias
et al.

[Contribution to a book, Contribution to a conference proceedings]
Renewable carbon feedstock for polymers : environmental benefits from synergistic use of biomass and CO$_{2}$
Carbon dioxide utilisation : Online virtual event, 7-9 April 2021 / scientific committee: chair Peter Styring [und 5 weitere], 227-246, 2021
[DOI: 10.1039/d0fd00134a]

Bachmann, Marvin
Kätelhön, Arne
Winter, Benedikt
Meys, Raoul
Müller, Leonard Jan
et al.

[Contribution to a book, Contribution to a conference proceedings]
Predictive Life Cycle Assessment with Limited Training Data : Artificial Neural Networks Vs. Gaussian Process Regression
2020 Virtual AIChE Annual Meeting proceedings, 2021

Kleinekorte, Johanna
Beckert, Verena
Fleitmann, Lorenz Heinrich Johannes
Kröger, Leif Christian
Leonhard, Kai
et al.

[Poster]
Reaction Kinetics for low-temperature oxidation of 1,3-dioxolane
10. European Combustion Meeting online 2021-04-14 - 2021-04-15, 2021

Roy, Indu Sekhar (Corresponding author)
Huang, Can
Leonhard, Kai

[Poster]
Analysis of recrossing in molecular dynamics simulations from energy fluctuations
10. European Combustion Meeting online 2021-04-14 - 2021-04-15, 2021

Kopp, Wassja Alexander
Schmalz, Felix (Corresponding author)
Krep, Lukas
Dietze, Patrik
Leonhard, Kai

[Poster]
Exploring the Reaction Network of 1, 3-Dioxolane-Hydroperoxide Radical Low-Temperature Oxidation with a Novel Molecular Dynamics Acceleration Technique
10. European Combustion Meeting online 2021-04-14 - 2021-04-15, 2021

Krep, Lukas (Corresponding author)
Huang, Can
Kopp, Wassja Alexander
Leonhard, Kai

[Abstract]
Exploration of complex reaction systems with the Chemical Trajectory analYzer (CTY) and CVHD acceleration
APS March Meeting 2021 online 2021-03-15 - 2021-03-19, 2021

Huang, Can
Yuqing, Zhao
Peiyang, Yu
Baur, Nils
Kopp, Wassja Alexander
et al.

[Poster]
Automatic PES mapping from Reaxff simulations with ChemTraYzer
38. International Symposium on Combustion Adelaine 2021-01-24 - 2021-01-29, 2021

Huang, Can
Schmalz, Felix
Kopp, Wassja Alexander
Krep, Lukas
Kröger, Leif
et al.

[Journal Article]
Studies of Ozone-Sensitized Low- and High-Temperature Oxidations of Diethyl Carbonate
The journal of physical chemistry / A, 125 (8), 1760-1765, 2021
[DOI: 10.1021/acs.jpca.0c09002]

Zhao, Hao (Corresponding author)
Liu, Shixiang
Yan, Chao
Huang, Can
Qi, Yongfeng
et al.

[Journal Article]
From Unavoidable CO2 Source to CO2 Sink? A Cement Industry Based on CO2 Mineralization
Environmental science & technology, 55 (8), 5212-5223, 2021
[DOI: 10.1021/acs.est.0c07599]

Ostovari, Hesam
Müller, Leonard Jan
Skocek, Jan
Bardow, André (Corresponding author)

[Journal Article]
Is the Microgel Collapse a Two-Step Process? Exploiting Cononsolvency to Probe the Collapse Dynamics of Poly- N -isopropylacrylamide (pNIPAM)
The journal of physical chemistry / B, 125 (5), 1503-1512, 2021
[DOI: 10.1021/acs.jpcb.0c10430]

Nothdurft, Katja
Müller, David Heinrich
Mürtz, Sonja Dorothea
Meyer, Anna A.
Guerzoni, Luis P. B.
et al.

[Journal Article]
Towards aromatics from biomass : Prospective Life Cycle Assessment of bio-based aniline
Journal of cleaner production, 290, 125818, 2021
[DOI: 10.1016/j.jclepro.2021.125818]

Winter, Benedikt
Meys, Raoul
Bardow, André (Corresponding author)

[Contribution to a book, Journal Article]
Reaction Mechanisms and Rate Constants of Auto‐Catalytic Urethane Formation and Cleavage Reactions
ChemistryOpen : including thesis treasury, 10 (5), 534-544, 2021
[DOI: 10.1002/open.202000150]

Gertig, Christoph Udo
Erdkamp, Eric
Ernst, Andreas
Hemprich, Carl
Kröger, Leif Christian
et al.

[Journal Article]
An adaptive PMP-based model predictive energy management strategy for fuel cell hybrid railway vehicles
eTransportation, 7, 100094, 2020
[DOI: 10.1016/j.etran.2020.100094]

Deng, Kai (Corresponding author)
Peng, Hujun
Dirkes, Steffen Christopher
Gottschalk, Jonas
Ünlübayir, Cem
et al.

[Book, Dissertation / PhD Thesis]
From model-based experimental design and analysis of diffusion and liquid-liquid equilibria to process applications
Aachener Beiträge zur technischen Thermodynamik 30, 2021
[DOI: 10.18154/RWTH-2021-02471]

Wolff, Ludger Wolfgang Michael

[Journal Article]
Life-cycle assessment of an industrial direct air capture process based on temperature-vacuum swing adsorption
Nature energy, 6 (2), 203-213, 2021
[DOI: 10.1038/s41560-020-00771-9]

Deutz, Sarah
Bardow, André (Corresponding author)

[Journal Article]
Detailed examination of the combustion of diesel and glycerol emulsions in a compression ignition engine
Fuel : the science and technology of fuel and energy, 291, 120147, 2021
[DOI: 10.1016/j.fuel.2021.120147]

Emberson, David Robert (Corresponding author)
Wyndorps, Jan
Ahmed, Ahfaz
Pires Bjørgen, Karl Oskar
Løvås, Terese

[Poster]
Raman scattering thermometry during first stage of ignition in an RCM
38. International Symposium on Combustion Adelaide 2021-01-24 - 2021-01-29, 2021

Schulz, Christian
Dewor, Raphael
Büttgen, René Daniel
Grünefeld, Gerd
Heufer, Karl Alexander
et al.

[Contribution to a book, Contribution to a conference proceedings]
Early-stage evaluation procedure for CO2 utilization technologies at low TRLs: A case study for electrochemical production of ethylene
2020 Virtual AIChE Annual Meeting proceedings, 554g, 2021

Roh, Kosan
Bardow, André
Bongartz, Dominik
Burre, Jannik
Chung, Wonsuk
et al.

[Contribution to a book, Contribution to a conference proceedings]
Optimal Solvent Selection in Co-Solvent-Based Biomass Conversion Processes
2020 Virtual AIChE Annual Meeting proceedings, 570d, 2021

Karacasulu, Kaan
Echtermeyer, Alexander Walter Wilhelm
Kabatnik, Christoph
Scheffczyk, Jan David
Bardow, André
et al.

[Journal Article]
Unimolecular reactions of the resonance-stabilized cyclopentadienyl radicals and their role in the polycyclic aromatic hydrocarbon formation
Proceedings of the Combustion Institute, 38 (1), 729-737, 2020
[DOI: 10.1016/j.proci.2020.08.009]

Mao, Qian (Corresponding author)
Huang, Can
Baroncelli, Martina
Shen, Li
Cai, Liming
et al.

[Journal Article]
AutoMoG: Automated data-driven Model Generation of multi-energy systems using piecewise-linear regression
Computers & chemical engineering, 145 (107162), 107162, 2020
[DOI: 10.1016/j.compchemeng.2020.107162]

Kämper, Andreas
Leenders, Ludger
Bahl, Björn
Bardow, André (Corresponding author)

[Journal Article]
Upgrading Waste Heat from 90 to 110 °C: The Potential of Adsorption Heat Transformation
Energy technology, 9 (1), 2000643, 2021
[DOI: 10.1002/ente.202000643]

Engelpracht, Mirko (Corresponding author)
Gibelhaus, Andrej
Seiler, Jan Michael
Graf, Stefan Wilhelm
Nasruddin, Nasruddin
et al.

[Journal Article]
Decomposition of 2,6‐diamino‐3,5‐dinitropyrazine‐1‐oxide (LLM‐105): From thermodynamics to kinetics
International journal of chemical kinetics, 53 (2), 242-249, 2020
[DOI: 10.1002/kin.21437]

Hou, Qifeng
Niu, Shiyao
Huang, Can
Wu, Xiaoqing
Qu, Wengang
et al.

[Journal Article]
Towards optimal mixtures of working fluids : Integrated design of processes and mixtures for Organic Rankine Cycles
Renewable & sustainable energy reviews, 135, 110179, 2020
[DOI: 10.1016/j.rser.2020.110179]

Schilling, Johannes
Entrup, Marten
Hopp, Madlen
Gross, Joachim
Bardow, André (Corresponding author)

[Contribution to a book, Journal Article]
Flexible here-and-now decisions for two-stage multi-objective optimization : method and application to energy system design selection
Optimization and engineering, 22 (2), 821-847, 2020
[DOI: 10.1007/s11081-020-09530-x]

Hollermann, Dinah Elena
Goerigk, Marc (Corresponding author)
Hoffrogge, Dörthe Franzisca
Hennen, Maike Renate
Bardow, André

[Journal Article]
Ion current-based homogeneous charge compression ignition combustion control using direct water injection
International journal of engine research, 22 (6), 1825-1837, 2020
[DOI: 10.1177/1468087420927833]

Zhu, Denghao
Deng, Jun
Dewor, Raphael
Wick, Maximilian
Andert, Jakob Lukas
et al.

[Journal Article]
Dynamic flow enables long-term maintenance of 3-D vascularized human skin models
Applied materials today, 25, 2021
[DOI: 10.1016/j.apmt.2021.101213]

Rimal, Rahul
Marquardt, Yvonne
Nevolianis, Thomas
Djeljadini, Suzana
Marquez, Andrea Bonnin
et al.

[Conference Presentation]
Importance of thermochemistry for accurate kinetic model predictions: Uncertainty analysis and optimization studies
5. International Flame Chemistry Workshop San Francisco, CA 2020-12-04 - 2020-12-04, 2020

vom Lehn, Florian Alexander
Cai, Liming
Döntgen, Malte
Leonhard, Kai
Heufer, Karl Alexander
et al.

[Contribution to a book, Contribution to a conference proceedings]
Mixed-Integer Dynamic Scheduling Optimization for Demand Side Management
30th European Symposium on Computer Aided Process Engineering / edited by Sauro Pierucci, Flavio Manenti, Giulia Luisa Bozzano, Davide Manca, 1405-1410, 2020
[DOI: 10.1016/B978-0-12-823377-1.50235-4]

Baader, Florian Joseph
Mork, Maximilian
Xhonneux, André
Müller, Dirk
Bardow, André
et al.

[Report]
Einsatz von CCU-Technologien zur Reduktion von Treibhausgasemissionen in Nordrhein-Westfalens Chemieindustrie, 2020

Zibunas, Christian
Meys, Raoul
Bardow, André

[Abstract, Contribution to a conference proceedings, Journal Article]
Konsequenzen einer CO2-Bepreisung für die chemische Industrie : Erkenntnisse aus einem Bottom-up-Modell
Chemie - Ingenieur - Technik : CIT, 92 (9), 1261-1261, 2020
[DOI: 10.1002/cite.202055075]

Zibunas, Christian (Corresponding author)
Kätelhön, Arne
Meys, Raoul
Müller, Leonard Jan
Bardow, André

[Abstract, Contribution to a conference proceedings, Journal Article]
Hüttengas-to-X: Life Cycle Assessment zum Potenzial der Sektorenkopplung von Stahl und Chemie
Chemie - Ingenieur - Technik : CIT, 92 (9), 1168-1168, 2020
[DOI: 10.1002/cite.202055045]

Kleinekorte, Johanna (Corresponding author)
Zibunas, Christian
Bardow, André

[Contribution to a conference proceedings, Journal Article]
Integrated In Silico Design of Catalysts and Processes based on Quantum Chemistry
Computer aided chemical engineering, 48, 889-894, 2020
[DOI: 10.1016/B978-0-12-823377-1.50149-X]

Gertig, Christoph Udo
Fleitmann, Lorenz Heinrich Johannes
Hemprich, Carl
Hense, Janik
Bardow, André
et al.

[Contribution to a conference proceedings, Journal Article]
Exergy, exergoeconomic, and exergoenvironmental optimization of the geothermal binary cycle power plant at Ampallas, West Sulawesi, Indonesia
Thermal science and engineering progress : TSEP, 19, 100625, 2020
[DOI: 10.1016/j.tsep.2020.100625]

Nasruddin, N. (Corresponding author)
Dwi Saputra, Irfan
Mentari, Tania
Bardow, André
Marcelina, Olga
et al.

[Conference Presentation]
Flexibility-expansion planning for decentralized energy systems to participate in balancing-power markets
Computer Aided Process Engineering FORUM 2020 Lyngby 2020-10-07 - 2020-10-09, 2020

Nolzen, Niklas
Leenders, Ludger
Bardow, André

[Conference Presentation, Multimedia]
HENDling: Simultaneous Heat-Exchanger-Network Design and Scheduling for Batch Processes
Computer Aided Process Engineering FORUM 2020 Lyngby 2020-10-07 - 2020-10-09, 2020

Hoffrogge, Dörthe Franzisca (Corresponding author)
Schulze Balhorn, Lukas
Kämper, Andreas
Baumgärtner, Nils Julius
Mayer, Fabian
et al.

[Poster]
Quantitative Multiscalar SRS/LIF Measurements in a Diesel-Like Jet of an Oxygenated-Fuel
8. International Fuel Science Conference Aachen 2020-06-23 - 2020-06-25, 2020

Dewor, Raphael
Schulz, Christian
Ottenwälder, Tamara Sophia
Raffius, Thomas Michael
Grünefeld, Gerd
et al.

[Contribution to a book, Journal Article]
Systemic Risks from Different Perspectives
Risk analysis, 42 (9), 1902-1920, 2020
[DOI: 10.1111/risa.13657]

Renn, Ortwin
Laubichler, Manfred
Lucas, Klaus
Kröger, Wolfgang
Schanze, Jochen
et al.

[Contribution to a book, Journal Article]
SEPP : Segment-Based Equation of State Parameter Prediction
Journal of chemical & engineering data, 65 (12), 5830-5843, 2020
[DOI: 10.1021/acs.jced.0c00733]

Kaminski, Sebastian
Leonhard, Kai (Corresponding author)

[Book, Dissertation / PhD Thesis]
Optimization of low-carbon energy systems from industrial to national scale
Aachener Beiträge zur technischen Thermodynamik 29, 2020
[DOI: 10.18154/RWTH-2020-12456]

Baumgärtner, Nils Julius

[Contribution to a book, Contribution to a conference proceedings]
An open-source Modelica library for design and control: Modular and scalable heat pump models using natural refrigerants
14th IIR Gustav-Lorentzen Conference on Natural Fluids : online (Kyōto, Japan), December 7-9, 2020 : proceedings / GL 2020 - 14th IIR-Gustav Lorentzen Conference on Natural Refrigerants ; IIF/IIR, Commissions B1, B2, D1, E1 & E2, 177-183, 2020
[DOI: 10.18462/iir.gl.2020.1068]

Vering, Christian (Corresponding author)
Engelpracht, Mirko
Nürenberg, Markus
Müller, Dirk

[Contribution to a conference proceedings]
Wasser/Ethanol - Adsorptionskältemaschine unter 0 °C
[Deutsche Kälte- und Klimatagung 2020, 2020-11-19 - 2020-11-20], 2020

Entrup, Marten
Kappelhoff, Christoph
Seiler, Jan Michael
Bardow, André

[Poster]
On-line Überwachung von Bioprozessen mit Raman-Spektroskopie und Indirect Hard Modeling (IHM): Ein robustes Modell trotz einfacher Kalibration
16. Kolloquium Prozessanalytik, Online-Veranstaltung 2020-11-23 - 2020-11-25, 2020

Müller, David Heinrich
Flake, Carsten
Brands, Thorsten
Koß, Hans-Jürgen

[Journal Article]
New theoretical insights into the reaction kinetics of toluene and hydroxyl radicals
Physical chemistry, chemical physics, 22 (39), 22279-22288, 2020
[DOI: 10.1039/D0CP02984J]

Wu, Xiaoqing
Huang, Can
Niu, Shiyao
Zhang, Feng (Corresponding author)

[Journal Article]
Updated thermochemistry for renewable transportation fuels : New groups and group values for acetals and ethers, their radicals, and peroxy species
International journal of chemical kinetics, 53 (2), 299-307, 2020
[DOI: 10.1002/kin.21443]

Döntgen, Malte
Kopp, Wassja Alexander
vom Lehn, Florian Alexander
Kröger, Leif Christian
Pitsch, Heinz
et al.

[Contribution to a conference proceedings]
Heat and Mass Transfer Kinetics of MOF-Coatings from Al-fumarate and CAU-10(Al)-H from IR-LTJ experiments : The Impact of Characteristic Times
ISHPC 2021 proceedings - online pre-conference 2020 : August 17th, 2020, Technische Universität Berlin, Campus Charlottenburg / editor: Thomas Meyer, co-editors: José Corrales, Rupert Graf, Walther Hüls, Roland Kühn, Felix Ziegler, 65-68, 2020
[DOI: 10.14279/DEPOSITONCE-10430.2]

Henninger, Matthias Roland Wolfgang
Gilges, Markus
Rustam, Lina
Ernst, Sebastian-Johannes
Velte, Andreas
et al.

[Contribution to a conference proceedings]
Capillary-assisted evaporation of water from finned tubes : Impacts of dynamics and experimental setups
ISHPC 2021 proceedings - online pre-conference 2020 : August 17th, 2020, Technische Universität Berlin, Campus Charlottenburg / editor: Thomas Meyer, co-editors: José Corrales, Rupert Graf, Walther Hüls, Roland Kühn, Felix Ziegler, 105-109, 2020
[DOI: 10.18154/RWTH-2020-10192]

Seiler, Jan Michael
Volmer, Rahel
Krakau, Dennis
Pöhls, Julien
Ossenkopp, Franziska
et al.

[Contribution to a conference proceedings]
Computationally efficient, experimentally validated adsorption chiller model using a plug-flow-based modelling approach
ISHPC 2021 proceedings - online pre-conference 2020 : August 17th, 2020, Technische Universität Berlin, Campus Charlottenburg / editor: Thomas Meyer, co-editors: José Corrales, Rupert Graf, Walther Hüls, Roland Kühn, Felix Ziegler, 24-27, 2020
[DOI: 10.18154/RWTH-2020-09552]

Gibelhaus, Andrej
Postweiler, Patrik
Seiler, Jan Michael
Bardow, André (Corresponding author)

[Journal Article]
Extreme events in time series aggregation: A case study for optimal residential energy supply systems
Applied energy, 275, 115223, 2020
[DOI: 10.1016/j.apenergy.2020.115223]

Teichgraeber, Holger
Lindenmeyer, Constantin P.
Baumgärtner, Nils Julius
Kotzur, Leander
Stolten, Detlef
et al.

[Journal Article]
Towards a circular economy for plastic packaging wastes - the environmental potential of chemical recycling
Resources, conservation and recycling, 162, 105010, 2020
[DOI: 10.1016/j.resconrec.2020.105010]

Meys, Raoul
Frick, Felicitas
Westhues, Stefan Ulrich
Sternberg, André Dirk
Klankermayer, Jürgen
et al.

[Contribution to a book, Journal Article]
Rx‐COSMO‐CAMPD: Enhancing Reactions by Integrated Computer‐Aided Design of Solvents and Processes based on Quantum Chemistry
Chemie - Ingenieur - Technik : CIT, 92 (10), 1489-1500, 2020
[DOI: 10.1002/cite.202000112]

Gertig, Christoph Udo
Fleitmann, Lorenz Heinrich Johannes
Schilling, Johannes
Leonhard, Kai
Bardow, André (Corresponding author)

[Contribution to a conference proceedings]
Water and ethanol as refrigerant mixture : Towards adsorption cooling below 0 °C
ISHPC 2021 proceedings - online pre-conference 2020 : August 17th, 2020, Technische Universität Berlin, Campus Charlottenburg / editor: Thomas Meyer, co-editors: José Corrales, Rupert Graf, Walther Hüls, Roland Kühn, Felix Ziegler, 19-23, 2020
[DOI: 10.18154/RWTH-2020-10191]

Entrup, Marten
Kappelhoff, Christoph
Seiler, Jan Michael
Bardow, André (Corresponding author)

[Abstract, Contribution to a conference proceedings]
Exploring the combustion chemistry of 1,3-dioxane and 1,3-dioxolane : future-generation bio-hybrid fuels
Fuel Science - From Production to Propulsion ; 8th International Conference, June 23 to 25, 2020, Online : Book of Abstracts, 112-114, 2020

Hellmuth, Maximilian Alexander (Corresponding author)
Wildenberg, Alina
Huang, Can
Cai, Liming
Chen, Bingjie
et al.

[Contribution to a conference proceedings]
Experimental Validation of a Dynamic Adsorption Chiller Model Using Optimal Experimental Design
ISHPC 2021 proceedings - online pre-conference 2020 : August 17th, 2020, Technische Universität Berlin, Campus Charlottenburg / editor: Thomas Meyer, co-editors: José Corrales, Rupert Graf, Walther Hüls, Roland Kühn, Felix Ziegler, 28-32, 2020
[DOI: 10.18154/RWTH-2020-09121]

Postweiler, Patrik
Gibelhaus, Andrej
Engelpracht, Mirko
Seiler, Jan Michael
Bardow, André (Corresponding author)

[Contribution to a conference proceedings]
Transforming Heat From 90 °C to 110 °C : Demonstration of a Lab-Scale Adsorption Heat Transformer(AdHT)
ISHPC 2021 proceedings - online pre-conference 2020 : August 17th, 2020, Technische Universität Berlin, Campus Charlottenburg / editor: Thomas Meyer, co-editors: José Corrales, Rupert Graf, Walther Hüls, Roland Kühn, Felix Ziegler, 152-156, 2020
[DOI: 10.18154/RWTH-2020-09120]

Engelpracht, Mirko
Diesel, Jannik
Jürgens, Boyung
Seiler, Jan Michael
Bardow, André (Corresponding author)

[Contribution to a conference proceedings]
SorpPropLib : An Open-Source Database for Sorption Equilibrium Properties
ISHPC 2021 proceedings - online pre-conference 2020 : August 17th, 2020, Technische Universität Berlin, Campus Charlottenburg / editor: Thomas Meyer, co-editors: José Corrales, Rupert Graf, Walther Hüls, Roland Kühn, Felix Ziegler, 33-36, 2020
[DOI: 10.18154/RWTH-2020-09119]

Engelpracht, Mirko
Yang, Zhiyao
Gluesenkamp, Kyle R.
Turnaoglu, Tugba
Seiler, Jan Michael
et al.

[Abstract, Contribution to a conference proceedings]
Effiziente quasi-stationäre Charakterisierung der Dünnfilmverdampfung von Wasser für Kälteanwendungen
Jahrestreffen der ProcessNet-Fachgruppe Wärme- und Stoffübertragung : 12.-13. März 2020, Radisson Blu Hotel, Erfurt : Tagungsband / DECHEMA, VDI ; ProcessNet, 69-69, 2020

Entrup, Marten
Cottmann, Björn
Schuh, Anton
Seiler, Jan Michael
Bardow, André

[Contribution to a conference proceedings]
Computational approach to the experimental determination of diffusion coefficients for oxygen and nitrogen in hydraulic fluids using the pressure decay method
[12th International Fluid Power Conference, IFK 2020], 2020

Rambaks, Andris
Kratshun, Filipp
Flake, Carsten
Messirek, Maren
Schmitz, Katharina
et al.

[Book, Dissertation / PhD Thesis]
Integrated thermo-economic design of processes and molecules using PC-SAFT
Aachener Beiträge zur technischen Thermodynamik 28, 2020
[DOI: 10.18154/RWTH-2020-08755]

Schilling, Johannes

[Contribution to a conference proceedings]
Optimization of Regionally Resolved Energy Systems by Spatial Aggregation and Disaggregation
16. Symposium Energieinnovation Graz 2020-02-12 - 2020-02-14, 2020

Reinert, Christiane
Söhler, Theo
Baumgärtner, Nils Julius
Bardow, André

[Contribution to a book, Contribution to a conference proceedings]
Environmental Impacts of the Future German Energy System from Integrated Energy Systems Optimization and Life Cycle Assessment
30th European Symposium on Computer Aided Process Engineering / Edited by Sauro Pierucci, Flavio Manenti, Giulia Luisa Bozzano, Davide Manca, 241-246, 2020
[DOI: 10.1016/B978-0-12-823377-1.50041-0]

Reinert, Christiane
Deutz, Sarah
Minten, Hannah
Dörpinghaus, Lukas
von Pfingsten, Sarah
et al.

[Journal Article]
The carbon footprint of the carbon feedstock CO2
Energy & environmental science, 13 (9), 2979-2992, 2020
[DOI: 10.1039/D0EE01530J]

Müller, Leonard Jan
Kätelhön, Arne
Bringezu, Stefan
McCoy, Sean
Suh, Sangwon
et al.

[Abstract, Contribution to a conference proceedings]
Process-Based Co-Solvent Screening for Optimal Conversion of Biomass
Fuel Science - From Production to Propulsion : 8th International Conference, June 23 to 25, 2020 : Book of Abstracts, 2020

Karacasulu, Kaan
Echtermeyer, Alexander Walter Wilhelm
Kabatnik, Christoph
Scheffczyk, Jan David
Bardow, André
et al.

[Journal Article]
Corrigendum to ``Detailed kinetic modeling of dimethoxymethane. Part I: Ab initio thermochemistry and kinetics predictions for key reactions'' [Combust. Flame (189) 433-442]
Combustion and flame, 218, 27, 2020
[DOI: 10.1016/j.combustflame.2020.03.020]

Kopp, Wassja Alexander (Corresponding author)
Kröger, Leif Christian
Döntgen, Malte
Jacobs, Sascha
Burke, Ultan
et al.

[Journal Article]
Assessing public acceptance of the life cycle of CO2-based fuels: Does information make the difference?
Energy policy, 143, 111586, 2020
[DOI: 10.1016/j.enpol.2020.111586]

Offermann-van Heek, Julia (Corresponding author)
Arning, Anne Katrin
Sternberg, André Dirk
Bardow, André
Ziefle, Martina

[Journal Article]
Generalized Form for Finite-Size Corrections in Mutual Diffusion Coefficients of Multicomponent Mixtures Obtained from Equilibrium Molecular Dynamics Simulation
Journal of chemical theory and computation : JCTC, 16 (6), 3799-3806, 2020
[DOI: 10.1021/acs.jctc.0c00268]

Jamali, Seyed Hossein
Bardow, André
Vlugt, Thijs J. H.
Moultos, Othonas A. (Corresponding author)

[Abstract, Contribution to a conference proceedings]
Bio-hybrid Fuels: From Molecular Structure to Combustion and Emissions
Fuel Science - From Production to Propulsion ; 8th International Conference, June 23 to 25, 2020, Online : Book of Abstracts, 109-111, 2020

Deshmukh, Abhishek Yashwant (Corresponding author)
Davidovic, Marco
Grenga, Temistocle
Schumacher, Leif
Kirsch, Valeri
et al.

[Journal Article]
Life-cycle environmental implications of China’s ban on post-consumer plastics import
Resources, conservation and recycling, 156, 104699, 2020
[DOI: 10.1016/j.resconrec.2020.104699]

Ren, Yanan
Shi, Lei (Corresponding author)
Bardow, André
Geyer, Roland
Suh, Sangwon (Corresponding author)

[Book, Dissertation / PhD Thesis]
Laserspektroskopische Analyse von selbstzündenden motorischen Einspritzstrahlen alternativer Biokraftstoffe
Aachener Beiträge zur Technischen Thermodynamik 27, 2020
[DOI: 10.18154/RWTH-2020-06912]

Raffius, Thomas Michael

[Journal Article]
Life Cycle Assessment for the Design of Chemical Processes, Products, and Supply Chains
Annual review of chemical and biomolecular engineering, 11 (1), 203-233, 2020
[DOI: 10.1146/annurev-chembioeng-011520-075844]

Kleinekorte, Johanna
Fleitmann, Lorenz Heinrich Johannes
Bachmann, Marvin
Kätelhön, Arne
Barbosa-Póvoa, Ana
et al.

[Contribution to a book, Journal Article]
Computer-aided molecular and processes design based on quantum chemistry : current status and future prospects
Current opinion in chemical engineering, 27, 89-97, 2020
[DOI: 10.1016/j.coche.2019.11.007]

Gertig, Christoph Udo
Leonhard, Kai
Bardow, André (Corresponding author)

[Journal Article]
Prediction of Solvation Free Energies of Ionic Solutes in Neutral Solvents
The journal of physical chemistry, 124 (20), 4171-4181, 2020
[DOI: 10.1021/acs.jpca.0c01606]

Kröger, Leif Christian
Müller, Simon
Smirnova, Irina
Leonhard, Kai (Corresponding author)

[Journal Article]
Early-stage evaluation of emerging CO$_{2}$ utilization technologies at low technology readiness levels
Green chemistry : GC, 22 (12), 3842-3859, 2020
[DOI: 10.1039/C9GC04440J]

Roh, Kosan
Bardow, André
Bongartz, Dominik
Burre, Jannik
Chung, Wonsuk
et al.

[Journal Article]
The first microsolvation step for furans : New experiments and benchmarking strategies
The journal of chemical physics, 152 (16), 164303, 2020
[DOI: 10.1063/5.0004465]

Gottschalk, Hannes C. (Corresponding author)
Poblotzki, Anja
Fatima, Mariyam
Obenchain, Daniel A.
Pérez, Cristóbal
et al.

[Journal Article]
Rock 'n' use of CO2 : carbon footprint of carbon capture and utilization by mineralization
Sustainable energy & fuels, 4 (9), 4482-4496, 2020
[DOI: 10.1039/D0SE00190B]

Ostovari, Hesam
Sternberg, André Dirk
Bardow, André (Corresponding author)

[Journal Article]
DeLoop: Decomposition-based Long-term operational optimization of energy systems with time-coupling constraints
Energy : the international journal, 198, 117272, 2020
[DOI: 10.1016/j.energy.2020.117272]

Baumgärtner, Nils Julius
Shu, David
Bahl, Björn
Hennen, Maike Renate
Hollermann, Dinah Elena
et al.

[Journal Article]
Quaternary Diffusion Coefficients in Liquids from Microfluidics and Raman Microspectroscopy: Cyclohexane + Toluene + Acetone + Methanol
Journal of chemical & engineering data, 65 (3), 1273-1288, 2020
[DOI: 10.1021/acs.jced.9b00632]

Peters, Christine
Thien, Julia Jutta
Wolff, Ludger Wolfgang Michael
Koß, Hans-Jürgen
Bardow, André (Corresponding author)

[Abstract, Contribution to a conference proceedings]
Kapillarunterstützte Verdampfung von Wasser an Rippenrohren: Einfluss von Messaufbau und Dynamik
Jahrestreffen der ProcessNet-Fachgruppe Wärme- und Stoffübertragung : 12.-13. März 2020, Radisson Blu Hotel, Erfurt : Tagungsband / DECHEMA, VDI ; ProcessNet, 29-29, 2020

Seiler, Jan Michael
Volmer, Rahel
Krakau, Dennis
Pöhls, Julien
Ossenkopp, Franziska
et al.

[Contribution to a conference proceedings, Journal Article]
Automated Physical Property Measurements from Calibration to Data Analysis : Microfluidic Platform for Liquid-Liquid Equilibrium Using Raman Microspectroscopy
Journal of chemical & engineering data, 65 (2), 319-327, 2020
[DOI: 10.1021/acs.jced.9b00636]

Thien, Julia Jutta
Reinpold, Lasse
Brands, Thorsten
Koß, Hans-Jürgen
Bardow, André (Corresponding author)

[Book, Dissertation / PhD Thesis]
Reliable and robust optimal design of sustainable energy systems
Aachener Beiträge zur technischen Thermodynamik 26, 2020
[DOI: 10.18154/RWTH-2020-04046]

Hollermann, Dinah Elena

[Journal Article]
A Guideline for Life Cycle Assessment of Carbon Capture and Utilization
Frontiers in energy research, 8, 15, 2020
[DOI: 10.3389/fenrg.2020.00015]

Müller, Leonard Jan
Kätelhön, Arne
Bachmann, Marvin
Zimmermann, Arno
Sternberg, André Dirk
et al.

[Journal Article]
Techno-Economic Assessment Guidelines for CO2 Utilization
Frontiers in energy research, 8 (5), 1-23, 2020
[DOI: 10.3389/fenrg.2020.00005]

Zimmermann, Arno W.
Wunderlich, Johannes
Müller, Leonard
Buchner, Georg A.
Marxen, Annika
et al.

[Book, Dissertation / PhD Thesis]
Technology choice model for consequential life cycle assessment
Aachener Beiträge zur technischen Thermodynamik 24, 2020
[DOI: 10.18154/RWTH-2020-03394]

Kätelhön, Cornelius Arne

[Journal Article]
Validated Performance Prediction of Adsorption Chillers: Bridging the Gap from Gram-Scale Experiments to Full-Scale Chillers
Energy technology, 8 (5), 1901130, 2019
[DOI: 10.1002/ente.201901130]

Graf, Stefan Wilhelm
Eibel, Sebastian
Lanzerath, Franz
Bardow, André (Corresponding author)

[Journal Article]
Correcting Rate Constants from Anharmonic Molecular Dynamics for Quantum Effects
ACS omega, 5 (5), 2242-2253, 2020
[DOI: 10.1021/acsomega.9b03383]

Schmalz, Felix (Corresponding author)
Kopp, Wassja Alexander
Kröger, Leif Christian
Leonhard, Kai

[Journal Article]
Model compendium, data, and optimization benchmarks for sector-coupled energy systems
Computers & chemical engineering, 135, 106760, 2020
[DOI: 10.1016/j.compchemeng.2020.106760]

Saß, Susanne (Corresponding author)
Faulwasser, Timm (Corresponding author)
Hollermann, Dinah Elena (Corresponding author)
Kappatou, Chrysoula Dimitra (Corresponding author)
Sauer, Dominique (Corresponding author)
et al.

[Journal Article]
Exploring the Chemistry of Low-Temperature Ignition by Pressure-Accelerated Dynamics
ChemSystemsChem : emergence & complexity, 2 (4), e1900043, 2020
[DOI: 10.1002/syst.201900043]

Krep, Lukas
Kopp, Wassja Alexander
Kröger, Leif Christian
Döntgen, Malte
Leonhard, Kai (Corresponding author)

[Journal Article]
Integrating superstructure-based design of molecules, processes, and flowsheets
AIChE journal, 66 (5), e16903, 2020
[DOI: 10.1002/aic.16903]

Schilling, Johannes
Horend, Christian
Bardow, André (Corresponding author)

[Book, Dissertation / PhD Thesis]
Measurement of multicomponent diffusion in liquids using raman microspectroscopy and microfluidics
Aachener Beiträge zur technischen Thermodynamik 25, 2020
[DOI: 10.18154/RWTH-2020-01437]

Peters, Christine Jutta

[Journal Article]
Risk-benefit perceptions and public acceptance of Carbon Capture and Utilization
Environmental innovation and societal transitions, 35, 292-308, 2019
[DOI: 10.1016/j.eist.2019.05.003]

Arning, Anne Katrin (Corresponding author)
Offermann-van Heek, Julia (Corresponding author)
Sternberg, André Dirk
Bardow, André
Ziefle, Martina (Corresponding author)

[Journal Article]
Capillary-assisted evaporation of water from finned tubes : Impacts of experimental setups and dynamics
Applied thermal engineering, 165, 114620, 2019
[DOI: 10.1016/j.applthermaleng.2019.114620]

Seiler, Jan Michael
Volmer, Rahel (Corresponding author)
Krakau, Dennis
Pöhls, Julien
Ossenkopp, Franziska
et al.

[Journal Article]
Toward optimal metal-organic frameworks for adsorption chillers : insights from the scale-up of mil-101(cr) and nh 2 -mil-125
Energy technology, 8 (1), 1900617, 2019
[DOI: 10.1002/ente.201900617]

Graf, Stefan Wilhelm
Redder, Florian
Bau, Uwe
de Lange, Martijn
Kapteijn, Freek
et al.

[Contribution to a book, Journal Article]
Ternary System CO2/2-MTHF/Water : Experimental Study and Thermodynamic Modeling
Journal of chemical & engineering data, 65 (3), 993-1004, 2019
[DOI: 10.1021/acs.jced.9b00315]

Aigner, Maximilian
Echtermeyer, Alexander Walter Wilhelm
Kaminski, Sebastian
Viell, Jörn
Leonhard, Kai
et al.

[Bachelor Thesis]
Isomerization and beta-scission of ethyl propionate radicals, 2019
[DOI: 10.18154/RWTH-2021-09171]

Al-Khatib, Mohamed
Kopp, Wassja Alexander (Consultant)

[Poster]
Automatisierte Modellerstellung für die Spektrenauswertung mit IHM: Beste Vorhersage statt bester Fit
15. Kolloquium Prozessanalytik Marl 2019-11-25 - 2019-11-27, 2019

Wöhl, Justus
Koß, Hans-Jürgen

[Poster]
Konzentrations-Auswertung von CARS Spektren mit IHM
Thermodynamik-Kolloquium Duisburg 2019-09-30 - 2019-10-02, 2019

Wöhl, Justus
Koß, Hans-Jürgen

[Contribution to a book, Contribution to a conference proceedings]
Automated data-driven model generation of energy systems using piecewise linear regression
32nd International Conference on Efficiency, Costs, Optimization, Simulation and Environmental Impact of Energy Systems (ECOS 2019) : Wrocław, Poland, 23-28 June 2019 : conference proceedings / Volume Editors: Stanek W., Gladysz P., Werle S., Adamczyk W., 327-338, 2019

Hüttermann, Andreas
Leenders, Ludger
Bahl, Björn
Bardow, André

[Conference Presentation]
Integriertes Design von Prozessen und Katalysatoren basierend auf modernen quantenchemischen Methoden
Thermodynamik-Kolloquium Duisburg 2019-09-30 - 2019-10-02, 2019

Gertig, Christoph Udo
Fleitmann, Lorenz Heinrich Johannes
Bardow, André
Leonhard, Kai

[Conference Presentation]
A Framework for Integrated Computer-Aided Molecular and Process Design based on Quantum Mechanics
International Conference on Properties and Phase Equilibria for Product and Process Design Vancouver 2020-05-12 - 2020-05-16, 2019

Gertig, Christoph Udo
Leonhard, Kai
Bardow, André

[Journal Article]
OCTP: A Tool for On-the-Fly Calculation of Transport Properties of Fluids with the Order-n Algorithm in LAMMPS
Journal of chemical information and modeling, 59 (4), 1290-1294, 2019
[DOI: 10.1021/acs.jcim.8b00939]

Jamali, Seyed Hossein
Wolff, Ludger Wolfgang Michael
Becker, Tim M.
de Groen, Mariëtte
Ramdin, Mahinder
et al.

[Poster]
Wasser und Ethanol als Kältemittelgemisch: Ein neuer Zugang zu Adsorptionskältemaschinen unter 0 °C
Thermodynamik-Kolloquium Duisburg 2019-09-30 - 2019-10-02, 2019

Lache, Marten
Kappelhoff, Christoph
Seiler, Jan Michael
Bardow, André

[Poster]
Renewables to what - insights from an environmental perspective
Innovationsforum SolarChemieR 2019-01-16 - 2019-01-18, 2019

Deutz, Sarah
Sternberg, André Dirk
Bardow, André

[Poster]
A microfluidic platform for the investigation of the cononsolvency effect in pNIPAM microgels
Thermodynamik-Kolloquium Duisburg 2019-09-30 - 2019-10-02, 2019

Müller, David Heinrich
Nothdurft, Katja
Brands, Thorsten
Richtering, Walter
Bardow, André

[Book, Dissertation / PhD Thesis]
Assessment of adsorbents for drying by experiments and dynamic simulations
Aachener Beiträge zur technischen Thermodynamik 21, 2019

Erdogan, Meltem

[Contribution to a conference proceedings]
Exploring the combustion chemistry of a novel lignocellulose-derived biofuel: cyclopentanol
[9th European Combustion Meeting, 2019-04-14 - 2019-04-17, Lisbon, Portugal], 2019

Cai, Liming (Corresponding author)
Kröger, Leif Christian
Döntgen, Malte
Minwegen, Heiko Julian
Büttgen, René Daniel
et al.

[Journal Article]
Rx-COSMO-CAMD: Computer-Aided Molecular Design of Reaction Solvents Based on Predictive Kinetics from Quantum Chemistry
Industrial & engineering chemistry research, 58 (51), 22835-22846, 2019
[DOI: 10.1021/acs.iecr.9b03232]

Gertig, Christoph Udo
Kröger, Leif Christian
Fleitmann, Lorenz Heinrich Johannes
Scheffczyk, Jan David
Bardow, André
et al.

[Conference Presentation]
Life cycle assessment of direct air capture (DAC) based on temperature-vacuum swing adsorption
Gordon Research Conference - Carbon Capture, Utilization and Storage Les Diablertes 2019-05-05 - 2019-05-11, 2019

Deutz, Sarah
Bardow, André

[Conference Presentation]
Wind-to-Wheel Life Cycle Assessment of CO2-based Oxymethylene Ethers (OMEX) as Diesel Fuel: The potential of novel production pathways
7. Internationale FSC Conference Aachen 2019-05-13 - 2019-05-15, 2019

Deutz, Sarah
Bongartz, Dominik
Burre, Jannik
Omari, Ahmad
Sternberg, André Dirk
et al.

[Conference Presentation]
Life-Cycle Assessment of Direct Air Capture (DAC) via Temperature-Vacuum Swing Adsorption
17. International Conference on Carbon Dioxide Utilization Aachen 2019-06-24 - 2019-06-27, 2019

Deutz, Sarah
Bardow, André

[Book, Dissertation / PhD Thesis]
Physically-based models for the analysis of Raman spectra
Aachener Beiträge zur technischen Thermodynamik 23, 2019
[DOI: 10.18154/RWTH-2019-12164]

Beumers, Peter Christoph

[Conference Presentation]
Comparison of Processes for Producing OME1 - An Efficient, Economic, and Environmentally Sustainable e-Fuel?
AIChE Annual Meeting 2019 Orlando, FL 2019-11-10 - 2019-11-15, 2019

Burre, Jannik
Bongartz, Dominik
Deutz, Sarah
Völker, Simon
Bardow, André
et al.

[Conference Presentation]
Environmental Impacts of Europe‘s Future Energy System
16. IAEE European Conference Ljubljana 2019-08-25 - 2019-08-28, 2019

Reinert, Christiane
Baumgärtner, Nils Julius
Deutz, Sarah
Bardow, André

[Contribution to a book, Contribution to a conference proceedings]
Integrated Design of Solvents and Processes based on Reaction Kinetics from Quantum Chemical Prediction Methods
29th European Symposium on Computer Aided Chemical Engineering / edited by Anton A. Kiss (The University of Manchester, United Kingdom), Edwin Zondervan (University of Bremen, Germany), Richard Lakerveld (The Hong Kong University of Science and Technology), Leyla Özkan (Eindhoven University of Technology, The Netherlands). - Part A, 415-420, 2019
[DOI: 10.1016/B978-0-12-818634-3.50070-9]

Gertig, Christoph Udo
Leonhard, Kai
Bardow, André (Corresponding author)

[Contribution to a book, Contribution to a conference proceedings]
Coordination of multiple production and utility systems in a multi-leader multi-follower Stackelberg game
29th European Symposium on Computer Aided Chemical Engineering / edited by Anton A. Kiss (The University of Manchester, United Kingdom), Edwin Zondervan (University of Bremen, Germany), Richard Lakerveld (The Hong Kong University of Science and Technology), Leyla Özkan (Eindhoven University of Technology, The Netherlands). - Part A, 697-702, 2019
[DOI: 10.1016/B978-0-12-818634-3.50117-X]

Leenders, Ludger
Ganz, Kirstin
Bahl, Björn
Hennen, Maike Renate
Bardow, André (Corresponding author)

[Contribution to a book, Journal Article]
The Need for and Path to Harmonized Life Cycle Assessment and Techno-Economic Assessment for Carbon Dioxide Capture and Utilization
Energy technology, 8 (11), 1901034, 2019
[DOI: 10.1002/ente.201901034]

Sick, Volker (Corresponding author)
Armstrong, Katy
Cooney, Gregory
Cremonese, Lorenzo
Eggleston, Alexandra
et al.

[Journal Article]
Enrichment of methanol inside pNIPAM gels in the cononsolvency-induced collapse
Physical chemistry, chemical physics : PCCP, 21 (41), 22811-22818, 2019
[DOI: 10.1039/C9CP04383G]

Nothdurft, Katja
Müller, David Heinrich
Brands, Thorsten
Bardow, André (Corresponding author)
Richtering, Walter (Corresponding author)

[Poster]
Warmer Kaffee aus kaltem Kaffee: Experimenteller Nachweis der Adsorptionswärmetransformation
Thermodynamik-Kolloquium Duisburg 2019-09-30 - 2019-10-02, 2019

Engelpracht, Mirko
Seiler, Jan Michael
Bardow, André

[Journal Article]
Exploring the combustion chemistry of a novel lignocellulose-derived biofuel: cyclopentanol. Part II: experiment, model validation, and functional group analysis
Combustion and flame, 210, 134-144, 2019
[DOI: 10.1016/j.combustflame.2019.08.025]

Cai, Liming (Corresponding author)
Minwegen, Heiko Julian
Kruse, Stephan
Büttgen, René Daniel
Hesse, Raik
et al.

[Journal Article]
Exploring the combustion chemistry of a novel lignocellulose-derived biofuel: cyclopentanol. Part I: quantum chemistry calculation and kinetic modeling
Combustion and flame, 210, 490-501, 2019
[DOI: 10.1016/j.combustflame.2019.07.012]

Cai, Liming (Corresponding author)
Kröger, Leif Christian
Döntgen, Malte
Leonhard, Kai
Narayanaswamy, Krithika
et al.

[Book, Dissertation / PhD Thesis]
SRS/LIF-Messungen zur Charakterisierung rußarmer dieselähnlicher Flammen von alternativen Kraftstoffen und n-Heptan
Aachener Beiträge zur Technischen Thermodynamik 22, 2019
[DOI: 10.18154/RWTH-2019-09711]

Schulz, Christian

[Conference Presentation]
Towards a Clean and Economic Production of OME1 from CO2 and H2 - Process Development and Analysis
17. International Conference on Carbon Dioxide Utilization Aachen 2019-06-23 - 2019-06-27, 2019

Burre, Jannik (Corresponding author)
Bongartz, Dominik
Ziegler, Anita Lisa
Deutz, Sarah
Bardow, André
et al.

[Poster]
Automatisierte Messung von Stoffdaten: Eine Mikrofluidik-Plattform für Diffusion und Flüssig-flüssig-Gleichgewichte
Thermodynamik-Kolloquium Duisburg 2019-09-30 - 2019-10-02, 2019

Flake, Carsten
Thien, Julia Jutta
Peters, Christine
Koß, Hans-Jürgen
Bardow, André

[Conference Presentation]
The 190th Birthday of Adolf Fick: Still the Same Procedure for Diffusion in Fluids as Every Year?
Diffusion Fundamentals Erlangen 2019-09-01 - 2019-09-05, 2019

Bardow, André
Flake, Carsten

[Poster]
Multicomponent diffusion coefficients in liquids from a fully automated microfluidic setup using Raman-microspectroscopy
Diffusion Fundamentals 8 2019-09-01 - 2019-09-05, 2019

Flake, Carsten
Thien, Julia Jutta
Peters, Christine
Koß, Hans-Jürgen
Bardow, André

[Journal Article]
Toward the Integrated Design of Organic Rankine Cycle Power Plants : A Method for the Simultaneous Optimization of Working Fluid, Thermodynamic Cycle, and Turbine
Journal of engineering for gas turbines and power, 141 (11), 111009, 2019
[DOI: 10.1115/1.4044380]

Lampe, Matthias (Corresponding author)
De Servi, Carlo (Corresponding author)
Schilling, Johannes (Corresponding author)
Bardow, André (Corresponding author)
Colonna, Piero (Corresponding author)

[Journal Article]
Integrierte Entscheidungen in der Fabrikplanung : Dynamische Entscheidungslogik zur optimierten Auswahl von Produktions-, Gebäude- und Energiekonzepten
Zeitschrift für wirtschaftlichen Fabrikbetrieb : ZWF, 114 (9), 521-524, 2019
[DOI: 10.3139/104.112149]

Dannapfel, Matthias
Vierschilling, Sebastian Patrick
Leenders, Ludger
Saraßa, Peter

[Contribution to a conference proceedings, Journal Article]
Design and Performance of a Microchannel Supercritical Carbon Dioxide Recuperator with Integrated Header Architecture
Journal of enhanced heat transfer, 26 (4), 365-392, 2019
[DOI: 10.1615/JEnhHeatTransf.2019027787]

Naderi, Cameron
Rasouli, Erfan
Narayanan, Vinod (Corresponding author)
Horend, Christian

[Poster]
Modeling of Microgel Synthesis
Modelling Polymers - From Methods to Applications Leverkusen 2019-09-13 - 2019-09-13, 2019

Kröger, Leif Christian
Jung, Falco Constantin
Janssen, Franca Alisa Laura
Ksiazkiewicz, Agnieszka
Pich, Andrij
et al.

[Journal Article]
Integrated design of working fluid and organic Rankine cycle utilizing transient exhaust gases of heavy-duty vehicles
Applied energy, 255, 113207, 2019
[DOI: 10.1016/j.apenergy.2019.05.010]

Schilling, Johannes
Eichler, Katharina
Kölsch, Benedikt
Pischinger, Stefan
Bardow, André (Corresponding author)

[Conference Presentation]
Towards Superstructure based Design of ORC Processes, Working Fluids and Process Flowsheets using PC SAFT
5. International Seminar on ORC Power Systems Athen 2019-09-09 - 2019-09-11, 2019

Schilling, Johannes
Horend, Christian
Tillmanns, Dominik
Bardow, André

[Conference Presentation]
Optimal Mixtures for Organic Rankine Cycles: Integrated Design of Process and Mixture using PC-SAFT
5. International Seminar on ORC Power Systems Athen 2019-09-09 - 2019-09-11, 2019

Schilling, Johannes
Entrup, Marten
Hopp, Madlen
Groß, Joachim
Bardow, André

[Conference Presentation]
Integrating working fluid design into dynamic ORC process design for mobile ORC applications
5. International Seminar on ORC Power Systems Athen 2019-09-09 - 2019-09-11, 2019

Tillmanns, Dominik
Petzschmann, Jonas
Schilling, Johannes
Gertig, Christoph Udo
Bardow, André

[Conference Presentation]
A guideline for standardized life cycle assessment on carbon capture and utilization - First experiences and new insights
9. International Conference on Life Cycle Management Poznan 2019-09-01 - 2019-09-04, 2019

Müller, Leonard Jan
Langhorst, Tim
Kätelhön, Arne
Bachmann, Marvin
Sternberg, André Dirk
et al.

[Journal Article]
Integrated design and control of full sorption chiller systems
Energy : the international journal, 185, 409-422, 2019
[DOI: 10.1016/j.energy.2019.06.169]

Gibelhaus, Andrej
Tangkrachang, Thanaphum
Bau, Uwe
Seiler, Jan Michael
Bardow, André (Corresponding author)

[Conference Presentation]
Renewable Carbon Feedstock for Polymers: Environmental Benefits from the Synergistic Use of Biomass and CO2
10. International Conference on Industrial Ecology Beijing 2019-07-07 - 2019-07-11, 2019

Bachmann, Marvin
Müller, Leonard Jan
Winter, Benedikt
Meys, Raoul
Sternberg, André Dirk
et al.

[Conference Presentation]
Combined Life Cycle Assessment of CO2 and Biomass as Renewable Carbon Feedstock for Polymers
17. International Conference on Carbon Dioxide Utilization Aachen 2019-06-23 - 2019-06-26, 2019

Bachmann, Marvin
Müller, Leonard Jan
Winter, Benedikt
Meys, Raoul
Sternberg, André Dirk
et al.

[Poster]
CO2 abatement cost curves for the chemical industry: A systems approach
Industrial Ecology Gordon Research Conference Les Diablerets 2019-05-20 - 2019-05-25, 2019

Bachmann, Marvin
Müller, Leonard Jan
Kätelhön, Arne
Sternberg, André Dirk
Bardow, André

[Preprint]
Flexible here-and-now decisions for two-stage multi-objective optimization : Method and application to energy system design selection, 2019

Hollermann, Dinah Elena
Goerigk, Marc (Corresponding author)
Hoffrogge, Dörthe Franzisca
Hennen, Maike Renate
Bardow, André

[Journal Article]
To Integrate or Not to Integrate - Techno-Economic and Life Cycle Assessment of CO2 Capture and Conversion to Methyl Formate Using Methanol
ACS sustainable chemistry & engineering, 7 (14), 12270-12280, 2019
[DOI: 10.1021/acssuschemeng.9b01603]

Jens, Christian M. (Corresponding author)
Müller, Leonard Jan (Corresponding author)
Leonhard, Kai (Corresponding author)
Bardow, André (Corresponding author)

[Contribution to a book, Contribution to a conference proceedings]
RiSES : Rigorous Synthesis of Energy Supply Systems with Seasonal Storage by relaxation and time-series aggregation to typical periods
32nd International Conference on Efficiency, Costs, Optimization, Simulation and Environmental Impact of Energy Systems (ECOS 2019) : Wrocław, Poland, 23-28 June 2019 : conference proceedings / Volume Editors: Stanek W., Gladysz P., Werle S., Adamczyk W., 263-274, 2019

Baumgärtner, Nils Julius (Corresponding author)
Temme, Frederik (Corresponding author)
Bahl, Björn (Corresponding author)
Hennen, Maike Renate (Corresponding author)
Hollermann, Dinah Elena (Corresponding author)
et al.

[Contribution to a book, Contribution to a conference proceedings]
From peak power prices to seasonal storage : Long-term operational optimization of energy systems by time-series decomposition
29th European Symposium on Computer Aided Chemical Engineering / edited by Anton A. Kiss (The University of Manchester, United Kingdom), Edwin Zondervan (University of Bremen, Germany), Richard Lakerveld (The Hong Kong University of Science and Technology), Leyla Özkan (Eindhoven University of Technology, The Netherlands). - Part A, 703-708, 2019
[DOI: 10.1016/B978-0-12-818634-3.50118-1]

Baumgärtner, Nils Julius
Shu, David
Bahl, Björn
Hennen, Maike Renate
Bardow, André (Corresponding author)

[Poster]
Combining Process Short cuts and Artificial Neural Networks for Predictive Life Cycle Assessment of Chemicals
Foundations of Process Analytics and Machine learning, 2019

Kleinekorte, Johanna
Welz, Marcel
Fleitmann, Lorenz Heinrich Johannes
Kröger, Leif Christian
Leonhard, Kai
et al.

[Contribution to a book, Contribution to a conference proceedings]
A Neural Network-Based Framework to Predict Process-Specific Environmental Impacts
29th European Symposium on Computer Aided Chemical Engineering / edited by Anton A. Kiss (The University of Manchester, United Kingdom), Edwin Zondervan (University of Bremen, Germany), Richard Lakerveld (The Hong Kong University of Science and Technology), Leyla Özkan (Eindhoven University of Technology, The Netherlands). - Part B, 1447-1452, 2019
[DOI: 10.1016/B978-0-12-818634-3.50242-3]

Kleinekorte, Johanna
Kröger, Leif Christian
Leonhard, Kai
Bardow, André (Corresponding author)

[Conference Presentation]
Environmentally optimal conversion pathways for gaseous carbon waste streams from steel mills
17. International Conference on Carbon Dioxide Utilization, 2019

Kleinekorte, Johanna
Kalousdian, Aline Anush
Bardow, André

[Contribution to a conference proceedings, Journal Article]
Dynamic Optimization of a Fed-Batch Microgel Synthesis
IFAC-PapersOnLine, 52 (1), 394-399, 2019
[DOI: 10.1016/j.ifacol.2019.06.094]

Jung, Falco Constantin
Janssen, Franca Alisa Laura
Caspari, Adrian
Spütz, Hendrik
Kröger, Leif Christian
et al.

[Conference Presentation]
Towards optimal mixtures: Integrating mixture design into ORC process design using PC-SAFT
Foundations of Computer-Aided Process Design (FOCAPD) Conference Copper Mountain Resort 2019-07-14 - 2019-07-18, 2019

Schilling, Johannes
Lache, Marten
Hopp, Madlen
Groß, Joachim
Bardow, André

[Conference Presentation]
Computer-aided design of solvents for minimum exergy demand in reaction-separation processes based on COSMO-RS
Foundations of Computer-Aided Process Design (FOCAPD) Conference Copper Mountain Resort 2019-07-14 - 2019-07-18, 2019

Fleitmann, Lorenz Heinrich Johannes
Gertig, Christoph Udo
Leonhard, Kai
Bardow, André

[Book, Dissertation / PhD Thesis]
COSMO-RS-based methods for improved modelling of complex chemical systems
Aachener Beiträge zur technischen Thermodynamik 20, 2019
[DOI: 10.18154/RWTH-2019-06759]

Yamin, Peyman

[Poster]
Exploring the combustion chemistry of a novellignocellulose-derived biofuel: cyclopentanol
9. European Combustion Meeting Lisbon 2019-04-14 - 2019-04-17, 2019

Cai, L. (Corresponding author)
Kröger, L.
Döntgen, Malte
Minwegen, Heiko Julian
Büttgen, René Daniel
et al.

[Journal Article]
Optimal design of integrated batch production and utility systems
Computers & chemical engineering : CACE, 128, 496-511, 2019
[DOI: 10.1016/j.compchemeng.2019.03.031]

Leenders, Ludger
Bahl, Björn
Lampe, Matthias
Hennen, Maike Renate
Bardow, André (Corresponding author)

[Journal Article]
Experimental and Numerical Study of Abnormal Combustion in Direct Injection Spark Ignition Engines Using Conventional and Alternative Fuels
Energy & fuels, 33 (6), 5230-5242, 2019
[DOI: 10.1021/acs.energyfuels.8b04040]

Ottenwälder, Tamara Sophia (Corresponding author)
Burke, Ultan
Hoppe, Fabian
Budak, Oguz
Brammertz, Sascha
et al.

[Journal Article]
Benchmarking commercial adsorbents for drying air in a packed bed
Applied thermal engineering, 160, 113942, 2019
[DOI: 10.1016/j.applthermaleng.2019.113942]

Erdogan, Meltem
Bau, Uwe
Bardow, André (Corresponding author)

[Contribution to a conference proceedings]
Life cycle assessment of carbon capture and utilization by mineralization
17. International Conference on Carbon Dioxide Utilization - ICCDU Aachen 2019-06-23 - 2019-06-27, 2019

Ostovari, Hesam
Bardow, André

[Conference Presentation]
Life cycle assessment of carbon capture and utilization by mineralization
17. International Conference on Carbon Dioxide Utilization - ICCDU Aachen 2019-06-23 - 2019-06-27, 2019

Ostovari, Hesam
Bardow, André

[Contribution to a book, Journal Article]
Converting two wastes to value
Nature energy, 4 (6), 440-441, 2019
[DOI: 10.1038/s41560-019-0392-4]

Bardow, André (Corresponding author)
Wessling, Matthias

[Poster]
TRL-based Guidelines for Early-stage Evaluation of CO2 Utilization Technologies
17. International Conference on Carbon Dioxide Utilization Aachen 2019-06-23 - 2019-06-27, 2019

Roh, Kosan
Burre, Jannik
Bongartz, Dominik
Lee, JH Steve
Chung, Wonsuk
et al.

[Conference Presentation]
Experimental and theoretical investigations on ethyl valerate - a bio-hybrid fuel
7. International Conference - Fuel Science: From Production to Propulsion Aachen 2019-05-13 - 2019-05-15, 2019

Morsch, Philipp (Corresponding author)
Kopp, Wassja Alexander
vom Lehn, Florian Alexander
Pitsch, Heinz
Leonhard, Kai
et al.

[Journal Article]
Fuel effects on NO formation in diesel-like jets in a vessel
Combustion and flame, 206, 201-210, 2019
[DOI: 10.1016/j.combustflame.2019.04.053]

Ottenwälder, Tamara Sophia (Corresponding author)
Raffius, Thomas Michael
Schulz, Christian
Grünefeld, Gerd
Koß, Hans-Jürgen
et al.

[Journal Article]
Detailed kinetic modeling of dimethoxymethane : Part II: Experimental and theoretical study of the kinetics and reaction mechanism
Combustion and flame, 205, 522-533, 2019
[DOI: 10.1016/j.combustflame.2018.12.026]

Jacobs, Sascha (Corresponding author)
Döntgen, Malte
Alquaity, Awad
Kopp, Wassja Alexander
Kröger, Leif Christian
et al.

[Contribution to a book, Contribution to a conference proceedings]
ORC on tour: Integrated design of dynamic ORC processes and working fluids for waste-heat recovery from heavy-duty vehicles
29th European Symposium on Computer Aided Chemical Engineering / edited by Anton A. Kiss (The University of Manchester, United Kingdom), Edwin Zondervan (University of Bremen, Germany), Richard Lakerveld (The Hong Kong University of Science and Technology), Leyla Özkan (Eindhoven University of Technology, The Netherlands). - Part A, 163-168, 2019
[DOI: 10.1016/B978-0-12-818634-3.50028-X]

Tillmanns, Dominik
Petzschmann, Jonas
Schilling, Johannes
Gertig, Christoph Udo
Bardow, André (Corresponding author)

[Journal Article]
Pareto-optimal performance of one-bed adsorption chillers by easy-to-implement heat-flow-based control
Applied thermal engineering, 159, 113590, 2019
[DOI: 10.1016/j.applthermaleng.2019.03.161]

Bau, Uwe
Bardow, André (Corresponding author)

[Poster]
Exploring Biofuel Low-Temperature Chemistry with a Hybrid Reactive MD/QM Scheme
9. European Combustion Meeting Lisbon 2019-04-14 - 2019-04-17, 2019

Krep, Lukas
Kopp, Wassja Alexander
Kröger, Leif Christian
Schmalz, Felix
Leonhard, Kai (Corresponding author)

[Conference Presentation]
Ab-initio reaction models from hybrid reactive molecular dynamics and QM chemistry simulations
17. International Conference on Numerical Combustion Aachen 2019-05-06 - 2019-05-08, 2019

Krep, Lukas
Döntgen, Malte
Schmalz, Felix
Kopp, Wassja Alexander
Kröger, Leif Christian
et al.

[Journal Article]
Towards sustainable elastomers from CO2 : life cycle assessment of carbon capture and utilization for rubbers
Green chemistry, 2019 (21), 3334-3342, 2019
[DOI: 10.1039/C9GC00267G]

Meys, Raoul
Kätelhön, Arne
Bardow, André (Corresponding author)

[Journal Article]
Climate change mitigation potential of carbon capture and utilization in the chemical industry
Proceedings of the National Academy of Sciences of the United States of America, 116 (23), 11187-11194, 2019
[DOI: 10.1073/pnas.1821029116]

Kätelhön, Arne
Meys, Raoul
Deutz, Sarah
Suh, Sangwon
Bardow, André (Corresponding author)

[Journal Article]
RiSES3: Rigorous Synthesis of Energy Supply and Storage Systems via time-series relaxation and aggregation
Computers & chemical engineering, 127, 127-139, 2019
[DOI: 10.1016/j.compchemeng.2019.02.006]

Baumgärtner, Nils Julius
Bahl, Björn
Hennen, Maike Renate
Bardow, André (Corresponding author)

[Poster]
Rock ’n’ use of CO2-environmental assessment of carbon capture and utilization by mineralization
Gordon Research Conference CCUS Les Diablerets 2019-05-05 - 2019-05-10, 2019

Ostovari, Hesam
Bardow, André

[Journal Article]
Things are different today: the challenge of global systemic risks
Journal of risk research, 22 (4), 401-415, 2017
[DOI: 10.1080/13669877.2017.1409252]

Renn, Ortwin
Lucas, Klaus
Haas, Armin
Jaeger, Carlo (Corresponding author)

[Dataset]
Dataset to "COSMO-RS-Based Methods for Improved Modelling of Complex Chemical Systems", 2019
[DOI: 10.18154/RWTH-2019-04523]

Yamin, Peyman (Corresponding author)

[Journal Article]
Design of low-carbon utility systems : Exploiting time-dependent grid emissions for climate-friendly demand-side management
Applied energy, 247, 755-765, 2019
[DOI: 10.1016/j.apenergy.2019.04.029]

Baumgärtner, Nils Julius
Delorme, Roman
Hennen, Maike Renate
Bardow, André (Corresponding author)

[Contribution to a book, Journal Article]
Congratulations to Ulrich Deiters
Zeitschrift für physikalische Chemie, 233 (4), 471-472, 2019
[DOI: 10.1515/zpch-2019-1065]

Leonhard, Kai
Kraska, Thomas (Corresponding author)

[Book, Dissertation / PhD Thesis]
Decision support for the synthesis of energy systems by analysis of the near-optimal solution space
Aachener Beiträge zur Technischen Thermodynamik 19, 2019
[DOI: 10.18154/RWTH-2019-03644]

Hennen, Maike Renate

[Journal Article]
Hybrid refrigeration by CO2 vapour compression cycle and water-based adsorption chiller: An efficient combination of natural working fluids
International journal of refrigeration, 103, 204-214, 2019
[DOI: 10.1016/j.ijrefrig.2019.03.036]

Gibelhaus, Andrej
Fidorra, Nicolas
Lanzerath, Franz
Bau, Uwe
Köhler, Jürgen
et al.

[Journal Article]
Coordinating scheduling of production and utility system using a Stackelberg game
Energy : the international journal, 175, 1283-1295, 2019
[DOI: 10.1016/j.energy.2019.03.132]

Leenders, Ludger
Bahl, Björn
Hennen, Maike Renate
Bardow, André (Corresponding author)

[Journal Article]
Monitoring an ionic liquid synthesis with in-situ IR-spectroscopy : The intricacy of solvent effects
The chemical engineering journal, 368, 649-658, 2019
[DOI: 10.1016/j.cej.2019.02.195]

Ohligschläger, Andreas
Gertig, Christoph Udo
Coenen, Dario
Brosch, Sebastian
Firaha, Dzmitry
et al.

[Conference Presentation]
Integrated superstructure-based design of processes, equipment and molecules using process flowsheeting software and PC-SAFT
Advanced Process Modelling (APM) Forum 2019 London 2019-03-26 - 2019-03-27, 2019

Schilling, Johannes
Horend, Christian
Groß, Joachim
Bardow, André

[Conference Presentation]
Integrating molecular design into thermo-economic design of processes and equipment
Advanced Process Modelling (APM) Forum 2019 London 2019-03-26 - 2019-03-27, 2019

Schilling, Johannes
Groß, Joachim
Bardow, André

[Contribution to a book, Journal Article]
Ultimate Reaction Selectivity Limits for Intensified Reactor-Separators
Industrial & engineering chemistry research : I & EC research, 58 (15), 6042-6048, 2018
[DOI: 10.1021/acs.iecr.8b04143]

Frumkin, Jeffrey A.
Fleitmann, Lorenz Heinrich Johannes
Doherty, Michael F. (Corresponding author)

[Journal Article]
Synthesis and Structure of Deuterated Ultra-Low Cross-Linked poly(N-isopropylacrylamide) Microgels
Polymer chemistry, 10 (19), 2397-2405, 2019
[DOI: 10.1039/C8PY01699B]

Brugnoni, Monia
Nickel, Anne C.
Kröger, Leif Christian
Scotti, Andrea
Pich, Andrij
et al.

[Book, Dissertation / PhD Thesis]
Quantum-mechanics-based prediction of SAFT parameters for non-associating and associating molecules containing carbon, hydrogen, oxygen, and nitrogen
Aachener Beiträge zur Technischen Thermodynamik 18, 2019
[DOI: 10.18154/RWTH-2019-02378]

Kaminski, Sebastian

[Journal Article]
Same or different? Insights on public perception and acceptance of carbon capture and storage or utilization in Germany
Energy policy, 125, 235-249, 2018
[DOI: 10.1016/j.enpol.2018.10.039]

Arning, Anne Katrin (Corresponding author)
Offermann-van Heek, Julia
Linzenich, Anika
Kätelhön, Arne
Sternberg, André Dirk
et al.

[Journal Article]
Optimal operation of adsorption chillers: First implementation and experimental evaluation of a nonlinear model-predictive-control strategy
Applied thermal engineering, 149, 1503-1521, 2018
[DOI: 10.1016/j.applthermaleng.2018.07.078]

Bau, Uwe
Baumgärtner, Nils Julius
Seiler, Jan Michael
Lanzerath, Franz
Kirches, Christian
et al.

[Contribution to a book, Journal Article]
Rh‐Catalyzed Hydrogenation of CO2 to Formic Acid in DMSO‐based Reaction Media: Solved and Unsolved Challenges for Process Development
Advanced synthesis & catalysis, 361 (2), 307-316, 2018
[DOI: 10.1002/adsc.201801098]

Jens, Christian
Scott, Martin
Liebergesell, Bastian
Westhues, Christian Gerhard
Schäfer, Pascal
et al.

[Journal Article]
Only a wet tube is a good tube : understanding capillary-assisted thin-film evaporation of water for adsorption chillers
Applied thermal engineering, 147, 571-578, 2018
[DOI: 10.1016/j.applthermaleng.2018.08.024]

Seiler, Jan Michael
Lanzerath, Franz
Jansen, Christoph
Bardow, André (Corresponding author)

[Journal Article]
High-speed imaging of the ignition of ethanol at engine relevant conditions in a rapid compression machine
Proceedings of the Combustion Institute, 37 (2), 1471-1478, 2018
[DOI: 10.1016/j.proci.2018.05.001]

Büttgen, René Daniel (Corresponding author)
Raffius, Thomas Michael
Grünefeld, Gerd
Koß, Hans-Jürgen
Heufer, Karl Alexander (Last author)

[Journal Article]
Spontaneous-Raman-scattering measurements in diesel-like n-heptane jets : Spectroscopy and flame structure
Fuel : the science and technology of fuel and energy, 236, 1356-1365, 2018
[DOI: 10.1016/j.fuel.2018.08.165]

Raffius, Thomas Michael (Corresponding author)
Schulz, Christian
Ottenwälder, Tamara Sophia
Grünefeld, Gerd
Heufer, Karl Alexander
et al.

[Journal Article]
Laser spectroscopic investigation of diesel-like jet structure using C8 oxygenates as the fuel
Fuel : the science and technology of fuel and energy, 235, 1515-1529, 2018
[DOI: 10.1016/j.fuel.2018.07.124]

Raffius, Thomas Michael (Corresponding author)
Ottenwälder, Tamara Sophia
Schulz, Christian
Grünefeld, Gerd
Koß, Hans-Jürgen
et al.

[Journal Article]
Ab initio kinetics predictions for H-atom abstraction from diethoxymethane by hydrogen, methyl, and ethyl radicals and the subsequent unimolecular reactions
Proceedings of the Combustion Institute, 37 (1), 275-282, 2018
[DOI: 10.1016/j.proci.2018.06.056]

Kröger, Leif Christian
Döntgen, Malte
Firaha, Dzmitry
Kopp, Wassja Alexander
Leonhard, Kai (Corresponding author)

[Poster]
An experimental and modelling study of the combustion of dimethoxy methane
37. International Symposium on Combustion Dublin 2018-07-29 - 2018-08-03, 2018

Jacobs, Sascha
Kröger, Leif Christian
Kopp, Wassja Alexander
Döntgen, Malte
Burke, Ultan
et al.

[Journal Article]
UV-Absorption Measurements by Spontaneous Raman Scattering in Low-Sooting Diesel-Like Jets
SAE technical paper, 2018-10-11, 2018
[DOI: 10.4271/2018-01-5042]

Schulz, Christian (Corresponding author)
Raffius, Thomas Michael
Ottenwälder, Tamara Sophia
Grünefeld, Gerd
Pischinger, Stefan
et al.

[Poster]
Cononsolvency of poly-N-isopropylacrylamid microgels in water-methanol mixtures: Insights from microfluidic studies
Thermodynamik-Kolloquium Kassel 2018-09-26 - 2018-09-28, 2018

Nothdurft, Katja
Müller, David Heinrich
Brands, Thorsten
Bardow, André
Richtering, Walter

[Contribution to a conference proceedings]
Transiente Modellierung eines Verdichters zum Vergleich von niedrig GWP-Kältemitteln für Kompressionswärmepumpen
IBPSA 7. Deutsch-Österreichische Konferenz, BauSIM2018 Karlsruhe 2018-09-26 - 2018-09-28, 2018

Vering, Christian
Storek, Thomas
Engelpracht, Mirko
Lauster, Moritz Robert
Müller, Dirk

[Conference Presentation]
Efficient characterization of multicomponent vapor-liquid equilibria using Raman spectroscopy
Twentieth Symposium on Thermophysical Properties Boulder 2018-06-24 - 2018-06-29, 2018

Liebergesell, Bastian
Flake, Carsten
Brands, Thorsten
Koß, Hans-Jürgen
Bardow, André

[Conference Presentation]
Combining microfluidics and Raman microspectroscopy: Efficient measurement of multicomponent diffusion and liquid-liquid equilibria
Twentieth Symposium on Thermophysical Properties Boulder 2018-06-24 - 2018-06-29, 2018

Flake, Carsten
Thien, Julia Jutta
Peters, Christine
Wolff, Ludger Wolfgang Michael
Brands, Thorsten
et al.

[Poster]
Combining COSMO-RS with other models leading to improved property predictions for oral presentation
5. COSMO-RS-Symposium Köln 2018-03-06 - 2018-03-08, 2018

Kaminski, Sebastian
Leonhard, Kai (Corresponding author)

[Poster]
An experimental and modeling study of the combustion of dimethoxy methane
37. International Symposium on Combustion Dublin 2018-07-29 - 2018-08-03, 2018

Jacobs, Sascha
Kröger, Leif Christian
Kopp, Wassja Alexander
Döntgen, Malte
Burke, U.
et al.

[Poster]
CO2 mineralization and utilization
Innovation in Industrial Carbon Capture Conference Lüttich 2018-02-07 - 2018-02-08, 2018

Ostovari, Hesam
Sternberg, André Dirk
Bardow, André

[Report]
Techno-Economic Assessment & Life-Cycle Assessment Guidelines for CO2 Utilization, 2018
[DOI: 10.3998/2027.42/145436]

Zimmermann, Arno (First author)
Müller, Leonard Jan
Marxen, Annika
Armstrong, Katy
Buchner, Georg
et al.

[Contribution to a book, Contribution to a conference proceedings]
Blending Acceptance as Additional Evaluation Parameter into Carbon Capture and Utilization Life-Cycle Analyses
SMARTGREENS 2018 : proceedings of the 7th International Conference on Smart Cities and Green ICT Systems : Funchal, Madeira, Portugal, March 16-18, 2018 / sponsored by INSTICC - Institute for Systems and Technologies of Information, Control and Communication ; edited by Cornel Klein, Brian Donnellan and Markus Helfert, 34-43, 2018
[DOI: 10.5220/0006683000340043]

Arning, Anne Katrin (Corresponding author)
Zaunbrecher, Barbara Sophie (Corresponding author)
Sternberg, André Dirk (Corresponding author)
Bardow, André (Corresponding author)
Ziefle, Martina (Corresponding author)

[Journal Article]
Characterization of Oxygenated-Fuel Combustion by Quantitative Multiscalar SRS/LIF Measurements in a Diesel-Like Jet
SAE technical paper, 2018-01-5037, 1-13, 2018
[DOI: 10.4271/2018-01-5037]

Schulz, Christian
Ottenwälder, Tamara Sophia
Raffius, Thomas Michael
Grünefeld, Gerd
Koß, Hans-Jürgen
et al.

[Book, Dissertation / PhD Thesis]
A design approach for adsorption energy systems integrating dynamic modeling with small-scale experiments
Aachener Beiträge zur technischen Thermodynamik 17, 2018
[DOI: 10.18154/RWTH-2018-231813]

Graf, Stefan Wilhelm

[Journal Article]
Systemic Risks: Theory and Mathematical Modeling
Advanced theory and simulations, 1 (11), 1800051, 2018
[DOI: 10.1002/adts.201800051]

Lucas, Klaus
Renn, Ortwin (Corresponding author)
Jaeger, Carlo (Corresponding author)

[Conference Presentation]
Auslegung und Steuerung von Adsorptionskühlsystemen mittels dynamischer Optimierung
DKV Tagung Aachen, 2018

Gibelhaus, Andrej
Bau, Uwe
Lanzerath, Franz
Bardow, André

[Conference Presentation]
Design and control of adsorption cooling systems based on dynamic optimisation
Heat Powered Cycles Conference Bayreuth, 2018

Gibelhaus, Andrej
Tangkrachang, Thanaphum
Bau, Uwe
Lanzerath, Franz
Bardow, André

[Conference Presentation]
Squaring the circle in drying high-humidity air by a novel composite sorbent with high uptake and low pressure-drop
Heat Powered Cycles Conference Bayreuth, 2018

Erdogan, Meltem
McCague, Claire
Graf, Stefan Wilhelm
Bahrami, Majid
Bardow, André

[Conference Presentation]
Honey, I shrunk the sorption Lab - Model-based scale-up of adsorption systems
Heat Powered Cycles Conference Bayreuth, 2018

Graf, Stefan Wilhelm
Gibelhaus, Andrej
Bau, Uwe
Lanzerath, Franz
Bardow, André

[Journal Article]
Aquatic toxicity of biofuel candidates on Daphnia magna
Ecotoxicology and environmental safety, 164, 125-130, 2018
[DOI: 10.1016/j.ecoenv.2018.08.008]

Heger, Sebastian
Bluhm, Kerstin
Du, Miaomiao
Lehmann, Gunnar
Anders, Nico
et al.

[Poster]
Prediction of Equilibrium Constants from Reactive Molecular Dynamics Simulations
Indo-German Symposium on Sustainable Energy Aachen 2018-11-14 - 2018-11-14, 2018

Kröger, Leif Christian
Döntgen, Malte
Kopp, Wassja Alexander
Krep, Lukas
Schmalz, Felix
et al.

[Conference Presentation]
Gleichzeitige Minimierung von Produktions- und Energiekosten durch zeit- und lastabhängige Energiepreise
Jahrestreffen der Fachgemeinschaft Prozess-, Apparate- und Anlagentechnik Cologne 2018-11-12 - 2018-11-13, 2018

Leenders, Ludger
Bahl, Björn
Hennen, Maike Renate
Bardow, André

[Conference Presentation]
Kinetic energy operators in internal coordinates using generalized Fourier functions
Franco-German Workshop on mathematical aspects in computational chemistry Aachen 2018-09-10 - 2018-09-12, 2018

Kopp, Wassja Alexander
Malsch, Laura
Leonhard, Kai

[Book, Dissertation / PhD Thesis]
A milliliter-scale setup for the efficient characterization of multicomponent vapor-liquid equilibria using raman spectroscopy
Aachener Beiträge zur technischen Thermodynamik 16, 2018
[DOI: 10.18154/RWTH-2018-229952]

Liebergesell, Bastian

[Poster]
Optimization-Based Retrofit of a Cryogenic Air Separation Unit for Flexible Operation
AIChE Annual Meeting 2018 Pittsburgh 2018-10-28 - 2018-11-02, 2018

Schweidtmann, Artur M.
Schäfer, Pascal
Caspari, Adrian
Seele, Hagen
Padberg, Pascal
et al.

[Journal Article]
Optimal (n-1)-reliable design of distributed energy supply systems
Computers & chemical engineering, 121, 317-326, 2018
[DOI: 10.1016/j.compchemeng.2018.09.029]

Hollermann, Dinah Elena
Hoffrogge, Dörthe Franzisca
Mayer, Fabian
Hennen, Maike Renate
Bardow, André (Corresponding author)

[Abstract, Contribution to a book, Contribution to a conference proceedings]
Accelerated reactive dynamics and automated reaction detection for ReaxFF
ACS national meeting. - 256, 230, 2018

Goumans, Fedor (Corresponding author)
Bal, Kristof
Döntgen, Malte
Neyts, Erik
Leonhard, Kai
et al.

[Dissertation / PhD Thesis]
Coupled large-amplitude motions in oxygenated biofuel candidates, 2018
[DOI: 10.18154/RWTH-2018-229605]

Kopp, Wassja Alexander

[Conference Presentation]
Von kleinskaligen Experimenten zur verlässlichen Vorhersage der Leistung großskaliger Adsorptionskältemaschinen
Thermodynamik-Kolloquium Kassel 2018-09-26 - 2018-09-28, 2018

Graf, Stefan Wilhelm
Eibel, Sebastian
Lanzerath, Franz
Bardow, André

[Contribution to a conference proceedings]
Transiente Modellierung eines Verdichters zum Vergleich von niedrig GWP-Kältemitteln für Kompressionswärmepumpen
[IBPSA 7. Deutsch-Österreichische Konferenz, BauSIM2018, 2018-09-26 - 2018-09-28, Karlsruhe, Germany], 2018

Vering, Christian (Corresponding author)
Storek, Thomas
Engelpracht, Mirko
Lauster, Moritz Robert
Müller, Dirk

[Contribution to a book, Contribution to a conference proceedings]
Integrated Design of Solvents in Hybrid Reaction-Separation Processes Using COSMO-RS
[Distillation & Absorption 2018, 2018-09-16 - 2018-09-19, Florence, Italy], 559-564, 2018
[DOI: 10.3303/CET1869094]

Fleitmann, Lorenz Heinrich Johannes
Scheffczyk, Jan David
Schäfer, Pascal
Jens, Christian Morten
Leonhard, Kai
et al.

[Abstract, Contribution to a book, Contribution to a conference proceedings]
Get your tubes wet: capillary-assisted thin-film evaporation of water for adsorption chillers
Heat Powered Cycles 2018 : book of abstracts : Heat Powered Cycles Conference : University of Bayreuth, Germany, 16th - 19th September / edited by: Prof. Dr. Roger R. Riehl ; reviewed by: Prof. (FH) Dr.-Ing. Markus Preißinger - Energy Research Center, University of Applied Sciences Vorarlberg, Austria Prof. Dr. Ian W. Eames, University of Nottingham, UK Dr. Mike Tierney, 66-67, 2018

Seiler, Jan Michael
Lanzerath, Franz
Jansen, Christoph
Bardow, André (Corresponding author)

[Journal Article]
Prediction of Composition-Dependent Self-Diffusion Coefficients in Binary Liquid Mixtures: The Missing Link for Darken-Based Models
Industrial & engineering chemistry research, 57 (43), 14784-14794, 2018
[DOI: 10.1021/acs.iecr.8b03203]

Wolff, Ludger Wolfgang Michael
Jamali, Seyed Hossein
Becker, Tim M.
Moultos, Othonas A.
Vlugt, Thijs J. H.
et al.

[Journal Article]
Experimental and theoretical investigations of methyl formate oxidation including hot β-scission
Proceedings of the Combustion Institute, 37 (1), 307-314, 2018
[DOI: 10.1016/j.proci.2018.06.111]

Minwegen, Heiko Julian (Corresponding author)
Döntgen, Malte
Hemken, Christian
Büttgen, Rene Daniel
Leonhard, Kai
et al.

[Journal Article]
Pressure-Dependent Rate Constant Predictions Utilizing the Inverse Laplace Transform : A Victim of Deficient Input Data
ACS omega, 3 (7), 8212-8219, 2018
[DOI: 10.1021/acsomega.8b00311]

Firaha, Dzmitry (Corresponding author)
Döntgen, Malte
Berkels, Benjamin
Leonhard, Kai (Corresponding author)

[Contribution to a book, Journal Article]
Vom Molekül zum Euro : Mit dem thermodynamischen Fahrstuhl zu maßgeschneiderten Prozessen
RWTH-Themen : Forschungsmagazin, SS 2018, 40-45, 2018
[DOI: 10.18154/RWTH-2018-228890]

Bardow, André
Fleitmann, Lorenz Heinrich Johannes
Gertig, Christoph Udo
Kleinekorte, Johanna
Scheffczyk, Jan David
et al.

[Journal Article]
Concentration-Dependent Diffusion Coefficients of Binary Gas Mixtures Using a Loschmidt Cell with Holographic Interferometry : Part II: Single Experiment
International journal of thermophysics, 39 (12), 132, 2018
[DOI: 10.1007/s10765-018-2451-7]

Wolff, Ludger Wolfgang Michael (Corresponding author)
Zangi, Pouria
Brands, Thorsten
Rausch, Michael Heinrich
Koß, Hans-Jürgen
et al.

[Journal Article]
Concentration-Dependent Diffusion Coefficients of Binary Gas Mixtures Using a Loschmidt Cell with Holographic Interferometry : Part I: Multiple Experiments
International journal of thermophysics, 39 (12), 133, 2018
[DOI: 10.1007/s10765-018-2450-8]

Wolff, Ludger Wolfgang Michael (Corresponding author)
Zangi, Pouria
Brands, Thorsten
Rausch, Michael Heinrich
Koß, Hans-Jürgen
et al.

[Journal Article]
Systemic Risks: A Homomorphic Approach on the Basis of Complexity Science
International journal of disaster risk science, 9 (3), 292-305, 2018
[DOI: 10.1007/s13753-018-0185-6]

Lucas, Klaus
Renn, Ortwin
Jaeger, Carlo (Corresponding author)
Yang, Saini

[Conference Presentation]
ORC auf Achse: Integriertes Design von ORC-Prozess und Arbeitsmittel zur Nutzung transienter LKW-Abgaswärme
Thermodynamik-Kolloquium 2018 Kassel 2018-09-26 - 2018-09-28, 2018

Tillmanns, Dominik
Petzschmann, Jonas
Schilling, Johannes
Gertig, Christoph Udo
Bardow, André

[Conference Presentation]
Integriertes Design von Prozess, Arbeitsmittel und Anlagenstruktur eines Organic Rankine Cycles auf Basis der PC-SAFT Zustandsgleichung
Thermodynamik-Kolloquium 2018 Kassel 2018-09-26 - 2018-09-28, 2018

Horend, Christian
Schilling, Johannes
Bardow, André

[Conference Presentation]
Die Mischung macht’s: Integrierter Entwurf von ORC-Prozess und Arbeitsmittelgemisch mit PC-SAFT
Thermodynamik-Kolloquium 2018 Kassel 2018-09-26 - 2018-09-28, 2018

Schilling, Johannes
Entrup, Marten
Hopp, Madlen
Groß, Joachim
Bardow, André

[Conference Presentation]
Sustainable Solvents from Combining Computer-Aided Molecular Design with Predictive Life Cycle Assessment
Jahrestagung der Fachgruppe Nachhaltige Chemie 2018-09-17 - 2018-09-19, 2018

Kleinekorte, Johanna
Fleitmann, Lorenz Heinrich Johannes
Scheffczyk, Jan David
Bardow, André

[Conference Presentation]
Environmental Potential of Oxymethylene Ethers (OMEX) Fuels
ProcessNet Annual Meeting 2018 Aachen 2018-09-10 - 2018-09-13, 2018

Deutz, Sarah
Bongartz, Dominik
Burre, Jannik
Heuser, Benedikt
Omari, Ahmad
et al.

[Abstract, Contribution to a conference proceedings, Journal Article]
Germany's next top molecule: Prädiktive Thermodynamik als Schlüssel der simultanen Optimierung von Prozess und Lösungsmittel
Chemie - Ingenieur - Technik : CIT, 90 (9), T8.03, 2018
[DOI: 10.1002/cite.201855372]

Groß, J. (Corresponding author)
Bardow, André

[Abstract, Contribution to a conference proceedings, Journal Article]
Eine Mikrofluidik-Plattform für die automatisierte Bestimmung von Flüssig/flüssig-Gleichgewichten mittels Raman-Spektroskopie
Chemie - Ingenieur - Technik : CIT, 90 (9), P8.06, 2018
[DOI: 10.1002/cite.201855411]

Thien, Julia Jutta
Reinpold, L.
Flake, Carsten
Brands, Thorsten
Koß, Hans-Jürgen
et al.

[Abstract, Contribution to a conference proceedings, Journal Article]
Nicht-invasive Inline-Analyse von Bioprozessen mit Raman-Spektroskopie und Indirect Hard Modeling (IHM)
Chemie - Ingenieur - Technik : CIT, 90 (9), P6.11, 2018
[DOI: 10.1002/cite.201855314]

Flake, Carsten
Brands, Thorsten
Koß, Hans-Jürgen
Dinger, Robert
Bardow, André (Corresponding author)

[Abstract, Contribution to a conference proceedings, Journal Article]
Automatisiertes In-silico-Design von optimalen Lösungsmitteln für Reaktionen auf Basis quantenchemischer Methoden
Chemie - Ingenieur - Technik : CIT, 90 (9), V3.19, 2018
[DOI: 10.1002/cite.201855153]

Gertig, Christoph Udo
Kröger, Leif Christian
Scheffczyk, Jan David
Bardow, André (Corresponding author)
Leonhard, Kai

[Abstract, Contribution to a conference proceedings, Journal Article]
Die richtige Mischung für Organic Rankine Cycles: Integriertes Design von Prozess und Arbeitsmittelgemisch mit PC-SAFT
Chemie - Ingenieur - Technik : CIT, 90 (9), P1.30, 2018
[DOI: 10.1002/cite.201855103]

Schilling, Johannes
Entrup, Marten
Hopp, M.
Groß, J.
Bardow, André (Corresponding author)

[Abstract, Contribution to a conference proceedings, Journal Article]
Energieeffizienz vs. Umweltauswirkungen: Integration von Molekül- und Prozessdesign mit prädiktiver Ökobilanzierung
Chemie - Ingenieur - Technik : CIT, 90 (9), V1.56, 2018
[DOI: 10.1002/cite.201855067]

Kleinekorte, Johanna
Fleitmann, Lorenz Heinrich Johannes
Scheffczyk, Jan David
Bardow, André (Corresponding author)

[Abstract, Contribution to a conference proceedings, Journal Article]
Integrierte Abscheidung und Umwandlung von CO2 zu CO durch integriertes Design von Lösungsmittel und Prozess mit COSMO-RS
Chemie - Ingenieur - Technik : CIT, 90 (9), V1.46, 2018
[DOI: 10.1002/cite.201855056]

Fleitmann, Lorenz Heinrich Johannes
Scheffczyk, Jan David
Leonhard, Kai
Bardow, André (Corresponding author)

[Abstract, Contribution to a conference proceedings, Journal Article]
Das ökologische Potenzial von Oxymethylenether-Kraftstoffen
Chemie - Ingenieur - Technik : CIT, 90 (9), V1.39, 2018
[DOI: 10.1002/cite.201855049]

Deutz, Sarah (Corresponding author)
Bongartz, Dominik
Burre, Jannik
Heuser, Benedikt
Omari, Ahmad
et al.

[Abstract, Contribution to a conference proceedings, Journal Article]
Environmental Potential of Chemical Recycling of Plastic Packaging Wastes within the Chemical Industry
Chemie - Ingenieur - Technik : CIT, 90 (9), V1.34, 2018
[DOI: 10.1002/cite.201855044]

Meys, Raoul
Frick, F.
Westhues, Stefan
Klankermayer, Jürgen
Bardow, André (Corresponding author)

[Abstract, Contribution to a conference proceedings, Journal Article]
The carbon footprint of a chemical industry based on CO2 utilization
Chemie - Ingenieur - Technik : CIT, 90 (9), V1.13, 2018
[DOI: 10.1002/cite.201855021]

Kätelhön, Arne (Corresponding author)
Meys, Raoul
Deutz, Sarah
Bardow, André

[Contribution to a book, Contribution to a conference proceedings]
Ensuring (n − 1)-reliability in the optimal design of distributed energy supply systems
28th European Symposium on Computer Aided Process Engineering : Part A / edited by Anton Friedl, Jiří Klemeš, Stefan Radl, Petar S. Varbanov, Thomas Wallek, 307-312, 2018
[DOI: 10.1016/B978-0-444-64235-6.50057-7]

Hollermann, Dinah Elena
Hoffrogge, Dörthe Franzisca
Hennen, Maike Renate
Bardow, André (Corresponding author)

[Conference Presentation]
How much CO2 emissions can be avoided by Carbon Capture and Utilization in the chemical industry?
16. International Conference on Carbon Dioxide Utilization Rio de Janeiro 2018-08-27 - 2018-08-30, 2018

Kätelhön, Arne
Meys, Raoul
Deutz, Sarah
Bardow, André

[Journal Article]
Quaternary isothermal vapor-liquid equilibrium of the model biofuel 2-butanone + n-heptane + tetrahydrofuran + cyclohexane using Raman spectroscopic characterization
Fluid phase equilibria, 472, 107-116, 2018
[DOI: 10.1016/j.fluid.2018.04.009]

Liebergesell, Bastian
Brands, Thorsten
Koß, Hans-Jürgen
Bardow, André (Corresponding author)

[Contribution to a book, Contribution to a conference proceedings]
A hierarchical approach for solvent selection based on successive model refinement
28th European Symposium on Computer Aided Process Engineering : Part A / edited by Anton Friedl, Jiří Klemeš, Stefan Radl, Petar S. Varbanov, Thomas Wallek, 325-330, 2018
[DOI: 10.1016/B978-0-444-64235-6.50060-7]

Kruber, Kai Fabian
Scheffczyk, Jan David
Leonhard, Kai
Bardow, André
Skiborowski, Mirko (Corresponding author)

[Contribution to a book, Contribution to a conference proceedings]
Integrated design of ORC process and working fluid for transient waste-heat recovery from heavy-duty vehicles
13th International Symposium on Process Systems Engineering (PSE 2018) / Edited by Mario R. Eden, Marianthi G. Ierapetritou, Gavin P. Towler, 2443-2448, 2018
[DOI: 10.1016/B978-0-444-64241-7.50402-X]

Schilling, Johannes
Eichler, Katharina
Pischinger, Stefan
Bardow, André

[Contribution to a book, Contribution to a conference proceedings]
Rigorous synthesis of energy systems by relaxation and time-series aggregation to typical periods
13th International Symposium on Process Systems Engineering - PSE 2018, July 1-5 2018 / Edited by Mario R. Eden, Marianthi G. Ierapetritou, Gavin P. Towler, 793-798, 2018
[DOI: 10.1016/B978-0-444-64241-7.50127-0]

Baumgärtner, Nils Julius
Leisin, Matthias
Bahl, Björn
Hennen, Maike Renate
Bardow, André

[Journal Article]
Automated Chemical Kinetic Modeling via Hybrid Reactive Molecular Dynamics and Quantum Chemistry Simulations
Journal of chemical information and modeling, 58 (7), 1343-1355, 2018
[DOI: 10.1021/acs.jcim.8b00078]

Döntgen, Malte
Schmalz, Felix
Kopp, Wassja Alexander
Kröger, Leif Christian
Leonhard, Kai (Corresponding author)

[Book, Dissertation / PhD Thesis]
Optimization-based synthesis of large-scale energy systems by time-series aggregation
Aachener Beiträge zur technischen Thermodynamik 15, 2018
[DOI: 10.18154/RWTH-2018-226794]

Bahl, Björn

[Contribution to a book, Journal Article]
Carbon2Polymer - Conceptual Design of a CO2-Based Process for the Production of Isocyanates
Chemie - Ingenieur - Technik, 90 (10), 1497-1503, 2018
[DOI: 10.1002/cite.201800029]

Kaiser, Teresa Kristin
Rathgeb, Andrea Melanie
Gertig, Christoph Udo
Bardow, André
Leonhard, Kai
et al.

[Contribution to a book, Contribution to a conference proceedings]
Playing Stackelberg games for minimal cost for production and utilities
ECOS 2018 : proceedings of the 31st International Conference on Efficiency, Cost, Optimization, Simulation and Environmental Impact of Energy Systems, June 17th to 21st 2018 - Guimarães, Portugal / [editors] José Carlos Teixeira ... [et al.]., 2018

Leenders, Ludger
Bahl, Björn
Hennen, Maike Renate
Bardow, André

[Abstract, Journal Article]
Dynamic investigations of the cononsolvency of poly-N-isopropylacrylamide microgels
ACS national meeting, 255, 391, 2018

Nothdurft, Katja (Corresponding author)
Brands, Thorsten
Bardow, André
Richtering, Walter

[Poster]
Prediction of chain propagation rate constants in microgel synthesis systems
2. Summer school on Functional Microgels and Microgel Systems, 2018

Kröger, Leif Christian
Leonhard, Kai (Corresponding author)

[Conference Presentation]
Combustion chemistry of diethoxymethane (DEM): experiments, theory and modeling
6. International Conference - Tailor-Made Fuels from Biomass Aachen 2018-06-19 - 2018-06-21, 2018

Kopp, Wassja Alexander (Corresponding author)
Kröger, Leif Christian
Cai, Liming
Hesse, Raik
Kruse, Stephan
et al.

[Book, Dissertation / PhD Thesis]
Modellbasiertes Design von Produkt, Lösungsmittel, und Prozess für die Ameisensäuresynthese aus CO$_{2}$ und H$_{2}$
Aachener Beiträge zur Technischen Thermodynamik 13, 2018

Jens, Christian Morten

[Contribution to a book, Contribution to a conference proceedings]
Kinetic Modeling of Precipitation Terpolymerization for Functional Microgels
28th European Symposium on Computer Aided Process Engineering : Part A / edited by Anton Friedl, Jiří Klemeš, Stefan Radl, Petar S. Varbanov, Thomas Wallek, 109-114, 2018
[DOI: 10.1016/B978-0-444-64235-6.50021-8]

Janssen, Franca Alisa Laura
Ksiazkiewicz, Agnieszka
Kather, Michael
Kröger, Leif Christian
Mhamdi, Adel
et al.

[Journal Article]
Closing the carbon cycle to maximise climate change mitigation: power-to-methanol vs. power-to-direct air capture
Sustainable energy & fuels, 2 (6), 1153-1169, 2018
[DOI: 10.1039/C8SE00061A]

Daggash, H. A.
Patzschke, C. F.
Heuberger, C. F.
Zhu, L.
Hellgardt, K.
et al.

[Conference Presentation]
Sustainable Solvents from Computer-Aided Molecular and Process Design with Predictive Life Cycle Assessment
6. International Conference Tailor-Made Fuels - From Production to Propulsion Aachen 2018-06-19 - 2018-06-21, 2018

Fleitmann, Lorenz Heinrich Johannes
Kleinekorte, Johanna
Scheffczyk, Jan David
Leonhard, Kai
Bardow, André

[Journal Article]
Predicting performance of adsorption thermal energy storage : From experiments to validated dynamic models
Applied thermal engineering, 141, 548-557, 2018
[DOI: 10.1016/j.applthermaleng.2018.05.094]

Schreiber, Heike
Lanzerath, Franz
Bardow, André (Corresponding author)

[Book, Dissertation / PhD Thesis]
Integrated computer-aided design of molecules and processes using COSMO-RS
Aachener Beiträge zur technischen Thermodynamik 14, 2018
[DOI: 10.18154/RWTH-2018-225002]

Scheffczyk, Jan David

[Contribution to a book, Journal Article]
Robust Dynamic Optimization of Batch Processes under Parametric Uncertainty : Utilizing Approaches from Semi-infinite Programs
Computers & chemical engineering, 116, 253-267, 2018
[DOI: 10.1016/j.compchemeng.2018.05.025]

Puschke, Jennifer
Djelassi, Hatim
Kleinekorte, Johanna
Hannemann-Tamás, Ralf
Mitsos, Alexander (Corresponding author)

[Conference Presentation]
Chemical recycling of plastic packaging - A life cycle perspective on PET recycling
SETAC Europe 28. Annual Meeting Conference Rome 2018-05-13 - 2018-05-17, 2018

Meys, Raoul
Westhues, Stefan
Klankermayer, Jürgen
Bardow, André

[Poster]
COSMO-CAMPD: A Framework for Integrated Design of Solvents and Processes using COSMO-RS
5. COSMO-RS Symposium Köln 2018-03-06 - 2018-03-07, 2018

Fleitmann, Lorenz Heinrich Johannes
Scheffczyk, Jan David
Schäfer, Pascal
Thien, Julia Jutta
Leonhard, Kai
et al.

[Journal Article]
Finite-Size Effects of Binary Mutual Diffusion Coefficients from Molecular Dynamics
Journal of chemical theory and computation, 14 (5), 2667-2677, 2018
[DOI: 10.1021/acs.jctc.8b00170]

Jamali, Seyed Hossein
Wolff, Ludger Wolfgang Michael
Becker, Tim M.
Bardow, André
Vlugt, Thijs J. H.
et al.

[Contribution to a book]
Silber-Recycling von Gasdiffusionselektroden aus der Chlor-Alkali-Elektrolyse
Recycling und Rohstoffe / Stephanie Thiel, Elisabeth Thomé-Kozmiensky, Daniel Goldmann. - Band 11, 233-252, 2018

Schosseler, Jil
Trentmann, Anna
Alkan, Gözde
Friedrich, Bernd
Dressler, Alexander
et al.

[Journal Article]
Time-resolved structural evolution during the collapse of responsive hydrogels: The microgel-to-particle transition
Science advances, 4 (4), eaao7086, 2018
[DOI: 10.1126/sciadv.aao7086]

Keidel, Rico Horst
Ghavami, Ali
Lugo, Dersy M.
Lotze, Gudrun
Virtanen, Otto L. J.
et al.

[Journal Article]
CO2 mitigation costs of catalytic methane decomposition
Energy : the international journal, 151, 826-838, 2018
[DOI: 10.1016/j.energy.2018.03.132]

Zhang, Xiang
Kätelhön, Arne
Sorda, Giovanni
Helmin, Marta
Rose, Marcus Sören
et al.

[Journal Article]
COSMO-CAMPD: A framework for integrated design of molecules and processes based on COSMO-RS
Molecular systems design & engineering, 3 (4), 645-657, 2018
[DOI: 10.1039/C7ME00125H]

Scheffczyk, Jan David
Schäfer, Pascal
Fleitmann, Lorenz Heinrich Johannes
Thien, Julia Jutta
Redepenning, Christian
et al.

[Poster]
Combining COSMO-RS with other models leading to improved property predictions
5. COSMO-RS-Symposium Köln 2018-03-06 - 2018-03-08, 2018

Kaminski, Sebastian
Leonhard, Kai

[Journal Article]
Energetically-optimal PEM electrolyzer pressure in power-to-gas plants
Applied energy, 218, 192-198, 2018
[DOI: 10.1016/j.apenergy.2018.02.155]

Tjarks, Geert
Gibelhaus, Andrej
Lanzerath, Franz
Müller, Martin (Corresponding author)
Bardow, André
et al.

[Journal Article]
Carbon capture and storage (CCS) : the way forward
Energy & environmental science, 11 (5), 1062-1176, 2018
[DOI: 10.1039/C7EE02342A]

Bui, Mai
Adjiman, Claire S.
Bardow, André
Anthony, Edward J.
Boston, Andy
et al.

[Journal Article]
Advanced methodology for the detection of smoke point heights in hydrocarbon flames
Energy & fuels, 32 (3), 3908-3919, 2018
[DOI: 10.1021/acs.energyfuels.7b03584]

Graziano, Barbara (Corresponding author)
Ottenwälder, Tamara Sophia
Manderfeld, Daniel
Pischinger, Stefan
Grünefeld, Gerd

[Book, Dissertation / PhD Thesis]
From dynamic simulation to optimal design and control of adsorption energy systems
Aachener Beiträge zur technischen Thermodynamik 12, 2018
[DOI: 10.18154/RWTH-2018-222524]

Bau, Uwe

[Journal Article]
Rigorous synthesis of energy systems by decomposition via time-series aggregation
Computers & chemical engineering, 112, 70-81, 2018
[DOI: 10.1016/j.compchemeng.2018.01.023]

Bahl, Björn
Lützow, Julian
Shu, David
Hollermann, Dinah Elena
Lampe, Matthias
et al.

[Contribution to a book]
Optimization-Based Synthesis of Resource-Efficient Utility Systems
Resource efficiency of processing plants : monitoring and improvement / edited by Stefan Krämer and Sebastian Engell, 369-399, 2018

Bahl, Björn
Hennen, Maike Renate
Lampe, Matthias
Voll, Philip
Bardow, André

[Journal Article]
Cleaner production of cleaner fuels : wind-to-wheel - environmental assessment of CO2-based oxymethylene ether as a drop-in fuel
Energy & environmental science, 11 (2), 331-343, 2017
[DOI: 10.1039/C7EE01657C]

Deutz, Sarah
Bongartz, Dominik
Heuser, Benedikt
Kätelhön, Arne
Schulze Langenhorst, Luisa
et al.

[Journal Article]
The furan microsolvation blind challenge for quantum chemical methods: First steps
The journal of chemical physics, 148 (1), 1-13, 2018
[DOI: 10.1063/1.5009011]

Gottschalk, Hannes C.
Poblotzki, Anja
Suhm, Martin A.
Al-Mogren, Muneerah M.
Antony, Jens
et al.

[Journal Article]
Typical Periods for Two-Stage Synthesis by Time-Series Aggregation with Bounded Error in Objective Function
Frontiers in energy research, 5, 35, 2018
[DOI: 10.3389/fenrg.2017.00035]

Bahl, Björn
Söhler, Theo
Hennen, Maike Renate
Bardow, André (Corresponding author)

[Journal Article]
Sustainable Conversion of Carbon Dioxide: An Integrated Review of Catalysis and Life Cycle Assessment
Chemical reviews : CR, 118 (2), 434-504, 2017
[DOI: 10.1021/acs.chemrev.7b00435]

Artz, Jens
Müller, Thomas E.
Thenert, Katharina Maria
Kleinekorte, Johanna
Meys, Raoul
et al.

[Journal Article]
Robust analysis of spectra with strong background signals by First-Derivative Indirect Hard Modeling (FD-IHM)
Chemometrics and intelligent laboratory systems, 172, 1-9, 2018
[DOI: 10.1016/j.chemolab.2017.11.005]

Beumers, Peter Christoph
Engel, D.
Brands, Thorsten
Koß, Hans-Jürgen
Bardow, André (Corresponding author)

[Contribution to a book, Contribution to a conference proceedings]
Practical Bounds on Reaction Selectivity
2017 Annual Meeting proceedings : 17 AIChE Annual Meeting, Minneapolis, MN ; conference year: 2017, 171d, 2018

Frumkin, Jeffrey A.
Doherty, Michael F.
Fleitmann, Lorenz Heinrich Johannes

[Journal Article]
Quantitative nitrogen oxide measurements by laser-induced fluorescence in diesel-like n-heptane jets with enhanced premixing
Combustion and flame, 188, 250-261, 2017
[DOI: 10.1016/j.combustflame.2017.09.035]

Ottenwälder, Tamara Sophia (Corresponding author)
Schulz, Christian
Raffius, Thomas Michael
Koß, Hans-Jürgen
Grünefeld, Gerd
et al.

[Journal Article]
Detailed kinetic modeling of dimethoxymethane. Part I: Ab initio thermochemistry and kinetics predictions for key reactions
Combustion and flame, 189, 433-442, 2017
[DOI: 10.1016/j.combustflame.2017.07.037]

Kopp, Wassja Alexander
Kröger, Leif Christian
Döntgen, Malte
Jacobs, Sascha
Burke, Ultan
et al.

[Conference Presentation]
Environmental Potential from Well-to-Wheel of CO2-based Oxymethylene Ethers as Fuel Blending Component
15. International Conference on Carbon Dioxide Utilization Shanghai 2017-07-17 - 2017-07-21, 2017

Deutz, Sarah
Bongartz, Dominik
Heuser, Benedikt
Omari, Ahmad
Brée, Luisa Carola
et al.

[Conference Presentation]
Well-to-wheel Environmental Potential of CO2-based Oxymethylene Ethers as Fuel Blending Component
5. International Conference Tailor-Made Fuels - From Production to Propulsion Aachen 2017-06-20 - 2017-06-22, 2017

Deutz, Sarah
Bongartz, Dominik
Heuser, Benedikt
Omari, Ahmad
Brée, Luisa Carola
et al.

[Poster]
Towards Cleaner Production of Cleaner Fuels: Environmental Assessment of CO2-based OME1Infotag "Oxymethylenether"
Infotag "Oxymethylenether" der DECHEMA Frankfurt am Main 2017-04-05 - 2017-04-05, 2017

Deutz, Sarah
Bongartz, Dominik
Heuser, Benedikt
Brée, Luisa Carola
Walters, Marius
et al.

[Contribution to a book, Contribution to a conference proceedings]
Rigorous synthesis of energy supply systems by time-series aggregation
27th European Symposium on Computer Aided Process Engineering / edited by Antonio Espuña, Moisès Graells and Luis Puigjaner (Chemical Engineering Department, Technical University of Catalonia, Barcelona, Spain). - Part C, 2413-2418, 2017
[DOI: 10.1016/B978-0-444-63965-3.50404-9]

Bahl, Björn
Lützow, Julian
Hollermann, Dinah Elena
Lampe, Matthias
Hennen, Maike Renate
et al.

[Contribution to a book, Contribution to a conference proceedings]
Integrated thermo-economic design of ORC process, working fluid and equipment using PC-SAFT
27th European Symposium on Computer Aided Process Engineering / edited by Antonio Espuña, Moisès Graells and Luis Puigjaner (Chemical Engineering Department, Technical University of Catalonia, Barcelona, Spain). - Part B, 1795-1800, 2017
[DOI: 10.1016/B978-0-444-63965-3.50301-9]

Schilling, Johannes
Tillmanns, Dominik
Lampe, Matthias
Hopp, Madlen
Gross, Joachim
et al.

[Poster]
Integrated process and solvent optimization for bio-based platform chemicals using COSMO-RS
Tailor-Made Fuels - From Production to Propulsion Aachen 2017-06-20 - 2017-06-22, 2017

Scheffczyk, Jan David
Redepenning, Christian
Leonhard, Kai
Marquardt, Wolfgang
Bardow, André

[Poster]
Integrated process and solvent design using COSMO-RS for the production of CO from CO2 and H2
27. European Symposium on Computer Aided Process Engineering - ESCAPE 27 Barcelona 2017-10-01 - 2017-10-05, 2017

Scheffczyk, Jan David
Schäfer, Pascal
Jens, Christian M.
Leonhard, Kai
Bardow, André

[Conference Presentation]
Finding Better Solvents - A Process-based Molecular Design Approach using COSMO-RS
Green Chemistry Horizon 2017-02-02 - 2017-02-03, 2017

Scheffczyk, Jan David
Schäfer, Pascal
Jens, Christian M.
Leonhard, Kai
Bardow, André

[Poster]
Towards efficient characterization of isothermal vapor-liquid equilibria of biofuels using Raman spectroscopy
5. TMFB International Conference Aachen 2017-06-20 - 2017-06-22, 2017

Liebergesell, Bastian
Flake, Carsten
Brands, Thorsten
Koß, Hans-Jürgen
Bardow, André (Corresponding author)

[Conference Presentation]
Using quantum-mechanically obtained electron density to predict PCP-SAFT parameters
SAFT 2017 Conference Heidelberg 2017-05-11 - 2017-05-13, 2017

Kaminski, Sebastian
Leonhard, Kai

[Poster]
Nicht-invasive inline Überwachung von Bioprozessen mittels Raman-Spektroskopie und First-Derivative Indirect Hard Modeling (FD-IHM)
Thermodynamik-Kolloquium 2017 Dresden, 2017

Flake, Carsten
Brands, Thorsten
Koß, Hans-Jürgen
Dinger, Robert
Büchs, Jochen
et al.

[Journal Article]
Second-Order Analytical Uncertainty Analysis in Life Cycle Assessment
Environmental science & technology, 51 (22), 13199-13204, 2017
[DOI: 10.1021/acs.est.7b01406]

von Pfingsten, Sarah
Broll, David Oliver
von der Aßen, Niklas Vincenz
Bardow, André (Corresponding author)

[Book, Dissertation / PhD Thesis]
System-wide perspective for life cycle assessment of CO2-based C1-chemicals
Aachener Beiträge zur technischen Thermodynamik 11, 2017
[DOI: 10.18154/RWTH-2018-00039]

Sternberg, André Dirk

[Poster]
Optimal design of distributed energy supply systems
Sustainable Process Integration Laboratory Scientific Conference 2017-12-06 - 2017-12-07, 2017

Hennen, Maike Renate
Bahl, Björn
Hollermann, Dinah Elena
Leenders, Ludger
Bardow, André

[Journal Article]
Synthesis of Poly(N-vinylcaprolactam)-Based Microgels by Precipitation Polymerization: Process Modeling and Experimental Validation
Industrial & engineering chemistry research, 56 (49), 14545-14556, 2017
[DOI: 10.1021/acs.iecr.7b03263]

Janssen, Franca Alisa Laura
Kather, Michael
Kröger, Leif Christian
Mhamdi, Adel
Leonhard, Kai
et al.

[Poster]
Efficient Determination of Liquid-Liquid Equilibria Using Microfluidics and Raman Microspectroscopy
European Symposium on Applied Thermodynamics Bucharest 2017-05-18 - 2017-05-21, 2017

Thien, Julia Jutta
Peters, Christine Jutta
Brands, Thorsten
Koß, Hans-Jürgen
Bardow, André

[Journal Article]
Efficient Determination of Liquid-Liquid Equilibria Using Microfluidics and Raman Microspectroscopy
Industrial & engineering chemistry research, 56 (46), 13905-13910, 2017
[DOI: 10.1021/acs.iecr.7b03230]

Thien, Julia Jutta
Peters, Christine
Brands, Thorsten
Koß, Hans-Jürgen
Bardow, André (Corresponding author)

[Contribution to a book, Contribution to a conference proceedings]
Integrated Synthesis of Batch Plants and Utility Systems
27th European Symposium on Computer Aided Process Engineering / edited by Antonio Espuña, Moisès Graells and Luis Puigjaner (Chemical Engineering Department, Technical University of Catalonia, Barcelona, Spain). - Part A, 625-630, 2017
[DOI: 10.1016/B978-0-444-63965-3.50106-9]

Leenders, Ludger
Bahl, Björn
Lampe, Matthias
Hennen, Maike Renate
Bardow, André (Corresponding author)

[Conference Presentation]
Identifying the environmental potential for chemical recycling of waste polymers
Life Cycle Management Conference Luxembourg 2017-09-03 - 2017-09-06, 2017

Meys, Raoul
Westhues, Stefan
Klankermayer, Jürgen
Bardow, André

[Conference Presentation]
Transportation Fuels from Renewable Hydrogen and Green Carbon Dioxide - A Technical, Economic, and Environmental Evaluation
AIChE Annual Meeting Minneapolis 2017-10-29 - 2017-11-03, 2017

Bongartz, Dominik (Corresponding author)
Burre, Jannik
Deutz, Sarah
Doré, Larissa
Eichler, Katharina
et al.

[Journal Article]
Development and Application of a Coarse-Grained Model for PNIPAM by Iterative Boltzmann Inversion and Its Combination with Lattice Boltzmann Hydrodynamics
The journal of physical chemistry / B, 121 (45), 10394-10406, 2017
[DOI: 10.1021/acs.jpcb.7b07818]

Botan, Vitalie
Ustach, Vincent D.
Leonhard, Kai (Corresponding author)
Faller, Roland (Corresponding author)

[Book, Proceedings]
26. Aachener Kolloquium Fahrzeug- und Motorentechnik : October 9th-11th, 2017 Eurogress Aachen, Germany, 2017

Eckstein, Lutz (Editor)
Pischinger, Stefan (Editor)
Hammermüller, Benedikt (Contributor)
Wolsfeld, Rainer (Contributor)

[Contribution to a book, Contribution to a conference proceedings]
Hybrid Air-Conditioning for Electric Vehicles by Combining a Heating and a Desiccant System
26. Aachener Kolloquium Fahrzeug- und Motorentechnik 2017 : October 9th-11th, 2017 Eurogress Aachen, Germany = 26th Aachen Colloquium Automobile and Engine Technology 2017 / scientific management: Univ.-Prof. Dr.-Ing. Lutz Eckstein, Univ.-Prof. Dr.-Ing. Stefan Pischinger; organizational management: Benedikt Hammermüller, M.SC., Dipl.-Ing. Rainer Wolsfeld ; ika, Institute for Automotive Engineering, RWTH Aachen University, vka, Institute for Combustion Engines, RWTH Aachen University. - 2, 1189-1204, 2017

Bau, Uwe
Schreiber, Heike
Lanzerath, Franz
Bardow, André

[Conference Presentation]
Effiziente Charakterisierung von Dampf-flüssig-Gleichgewichten mittels Raman-Spektroskopie
Thermodynamik-Kolloquium Dresden 2017-09-27 - 2017-09-29, 2017

Liebergesell, Bastian
Flake, Carsten
Brands, Thorsten
Koß, Hans-Jürgen
Bardow, André

[Contribution to a book, Contribution to a conference proceedings]
Integrated process and solvent design using COSMO-RS for the production of CO from CO2 and H2
27th European Symposium on Computer Aided Process Engineering / edited by Antonio Espuña, Moisès Graells and Luis Puigjaner (Chemical Engineering Department, Technical University of Catalonia, Barcelona, Spain). - Part B, 1765-1770, 2017
[DOI: 10.1016/B978-0-444-63965-3.50296-8]

Scheffczyk, Jan David
Schäfer, Pascal
Jens, Christian M.
Leonhard, Kai
Bardow, André

[Journal Article]
When 2nd generation biofuel meets water - The water solubility and phase stability issue
Fuel : the science and technology of fuel and energy, 209, 615-623, 2017
[DOI: 10.1016/j.fuel.2017.07.110]

Dechambre, Dominique
Thien, Julia Jutta
Bardow, André (Corresponding author)

[Abstract, Contribution to a conference proceedings]
Assessing Statistical Uncertainties of Rare Events in Reactive Molecular Dynamics Simulations
[4th International Conference on Computational Engineering, ICCE 2017, 2017-09-28 - 2017-09-29, Darmstadt, Germany], 54-54, 2017

Kröger, Leif Christian (Corresponding author)
Kopp, Wassja Alexander
Döntgen, Malte
Firaha, Dzmitry
Leonhard, Kai (Corresponding author)

[Contribution to a conference proceedings]
Bestimmung des statistischen Fehlers von seltenen Ereignissen in reaktiven molekulardynamischen Simulationen
[Thermodynamik-Kolloquium 2017, 2017-09-27 - 2017-09-29, Dresden, Germany], 2017

Kröger, Leif Christian
Kopp, Wassja Alexander
Döntgen, Malte
Leonhard, Kai (Corresponding author)

[Journal Article]
Mechanism of the Unusual Wetting of a Surface Fine Crevice Structure Created by Laser Irradiation
Materials transactions, 58 (8), 1227-1230, 2017
[DOI: 10.2320/matertrans.M2017115]

Siboniso, Vilakazi
Yeon, Jaebong
Grozescu, Christian
Goto, Hiroki
Nakamoto, Masashi
et al.

[Contribution to a book, Contribution to a conference proceedings]
Integrated design of ORC process and working fluid using PC-SAFT and Modelica
4th International Seminar on ORC Power Systems September 13-15th 2017, Politecnico Di Milano Bovisa Campus Milano, Italy / Edited by Vincenzo Dossena, Alberto Guardone and Marco Astolfi, 97-104, 2017
[DOI: 10.1016/j.egypro.2017.09.169]

Tillmanns, Dominik
Gertig, Christoph Udo
Schilling, Johannes
Gibelhaus, Andrej
Bau, Uwe
et al.

[Contribution to a book, Contribution to a conference proceedings]
Integrating working fluid design into the thermo-economic design of ORC processes using PC-SAFT
4th International Seminar on ORC Power Systems September 13-15th 2017, Politecnico Di Milano Bovisa Campus Milano, Italy / Edited by Vincenzo Dossena, Alberto Guardone and Marco Astolfi, 121-128, 2017
[DOI: 10.1016/j.egypro.2017.09.179]

Schilling, Johannes
Tillmanns, Dominik
Lampe, Matthias
Hopp, Madlen
Gross, Joachim
et al.

[Contribution to a book, Contribution to a conference proceedings]
Integrated design of ORC process and working fluid using process flowsheeting software and PC-SAFT
4th International Seminar on ORC Power Systems September 13-15th 2017, Politecnico Di Milano Bovisa Campus Milano, Italy / Edited by Vincenzo Dossena, Alberto Guardone and Marco Astolfi, 129-136, 2017
[DOI: 10.1016/j.egypro.2017.09.184]

Schilling, Johannes
Gross, Joachim
Bardow, André (Corresponding author)

[Book, Dissertation / PhD Thesis]
Experiments and Validated Models for Adsorption Thermal Energy Storage in Industrial and Residential Applications
Aachener Beiträge zur technischen Thermodynamik 10, 2017
[DOI: 10.18154/RWTH-2017-08146]

Schreiber, Heike

[Journal Article]
A new QSPR-based prediction model for biofuel lubricity
Tribology international, 115, 274-284, 2017
[DOI: 10.1016/j.triboint.2017.05.005]

Weinebeck, Alexander
Kaminski, Sebastian
Murrenhoff, Hubertus
Leonhard, Kai (Corresponding author)

[Journal Article]
Dynamic optimisation of adsorber-bed designs ensuring optimal control
Applied thermal engineering, 125, 1565-1576, 2017
[DOI: 10.1016/j.applthermaleng.2017.07.073]

Bau, Uwe
Hoseinpoori, Pooya
Graf, Stefan Wilhelm
Schreiber, Heike
Lanzerath, Franz
et al.

[Contribution to a book]
Environmental Assessment of CO2 Utilisation
CO2 Utilisation Today : Report 2017 / Arno Zimmermann, Marvin Kant, 24-28, 2017
[DOI: 10.18154/RWTH-2017-07608]

Meys, Raoul
Kätelhön, Arne
Bardow, André

[Conference Presentation]
Life Cycle Assessment of CO2-based Polyurethane Elastomers
15. International Conference on Carbon Dioxide Utilisation Shanghai 2017-07-17 - 2017-07-21, 2017

Meys, Raoul
Kätelhön, Arne
Bardow, André

[Journal Article]
The IR-Large-Temperature-Jump method: Determining heat and mass transfer coefficients for adsorptive heat transformers
Applied thermal engineering, 126, 630-642, 2017
[DOI: 10.1016/j.applthermaleng.2017.06.054]

Graf, Stefan Wilhelm
Lanzerath, Franz
Bardow, André (Corresponding author)

[Journal Article]
Assessing Statistical Uncertainties of Rare Events in Reactive Molecular Dynamics Simulations
Journal of chemical theory and computation : JCTC, 13 (9), 3955-3960, 2017
[DOI: 10.1021/acs.jctc.7b00524]

Kröger, Leif Christian
Kopp, Wassja Alexander
Döntgen, Malte
Leonhard, Kai (Corresponding author)

[Journal Article]
Round Robin Study: Molecular Simulation of Thermodynamic Properties from Models with Internal Degrees of Freedom
Journal of chemical theory and computation : JCTC, 13 (9), 4270-4280, 2017
[DOI: 10.1021/acs.jctc.7b00489]

Schappals, Michael
Mecklenfeld, Andreas
Kröger, Leif Christian
Botan, Vitalie
Köster, Andreas
et al.

[Journal Article]
Multicomponent diffusion coefficients from microfluidics using Raman microspectroscopy
Lab on a chip, 17 (16), 2768-2776, 2017
[DOI: 10.1039/C7LC00433H]

Peters, Christine Jutta
Wolff, Ludger Wolfgang Michael
Haase, Sandra Christine
Thien, Julia Jutta
Brands, Thorsten
et al.

[Poster]
The environmental footprint captured CO2 as carbon resource
Gordon Research Conference on Carbon Capture, Utilization and Storage New London, NH 2017-06-11 - 2017-06-16, 2017

Müller, Leonard Jan
Kätelhön, Arne
von der Aßen, Niklas Vincenz
Bardow, André

[Conference Presentation]
Environmental impact reduction potential from well-to-wheel CO2-based oxymethylene ethers as blending component
5. International Conference Tailor-Made Fuels - From Production to Propulsion Aachen 2017-06-20 - 2017-06-22, 2017

Deutz, Sarah
Bongartz, Dominik
Heuser, Benedikt
Schulze Langenhorst, Luisa
Walters, Marius
et al.

[Poster]
Flame-temperature and CO measurements by spontaneous raman scattering in non-sooting diesel-like jets
5. International Conference 2017 Tailor-Made Fuels - From Production to Propulsion Aachen 2017-06-20 - 2017-06-22, 2017

Raffius, Thomas Michael
Schulz, Christian
Ottenwälder, Tamara Sophia
Grünefeld, Gerd
Koß, Hans-Jürgen
et al.

[Contribution to a conference proceedings]
Time-series aggregation to typical periods with bounded error in objective function for energy systems synthesis
[The 30th International Conference On Efficiency, Cost, Optimization, Simulation And Environmental Impact Of Energy Systems, ECOS 2017, 2017-07-02 - 2017-07-06, San Diego, CA, USA], 1-12, 2017

Bahl, Björn
Söhler, Theo
Hennen, Maike Renate
Bardow, André

[Journal Article]
Time-series aggregation for synthesis problems by bounding error in the objective function
Energy : the international journal, 135, 900-912, 2017
[DOI: 10.1016/j.energy.2017.06.082]

Bahl, Björn
Kümpel, Alexander
Seele, Hagen
Lampe, Matthias
Bardow, André (Corresponding author)

[Journal Article]
Optimization-based identification and quantification of demand-side management potential for distributed energy supply systems
Energy : the international journal, 135, 889-899, 2017
[DOI: 10.1016/j.energy.2017.06.083]

Bahl, Björn
Lampe, Matthias
Voll, Philip
Bardow, André (Corresponding author)

[Journal Article]
Simple two-step assessment of novel adsorbents for drying: The trade-off between adsorber size and drying time
Applied thermal engineering, 125, 1075-1082, 2017
[DOI: 10.1016/j.applthermaleng.2017.07.014]

Erdogan, Meltem
Graf, Stefan Wilhelm
Bau, Uwe
Lanzerath, Franz
Bardow, André (Corresponding author)

[Conference Presentation]
Technology Choice Model for Climate Policy Assessment
9. biennial conference of the International Society for Industrial Ecology (ISIE) and the 25th annual conference of the International Symposium on Sustainable Systems and Technology (ISSST) Chicago, IL 2017-06-25 - 2017-06-29, 2017

Kätelhön, Arne
Bardow, André
Suh, Sangwon

[Conference Presentation]
Modeling changes in technology-mixes due to climate policy
25. IIOA Conference Atlantic City 2017-06-19 - 2017-06-23, 2017

Kätelhön, Arne
Bardow, André
Suh, Sangwon

[Journal Article]
From molecules to dollars: integrating molecular design into thermo-economic process design using consistent thermodynamic modeling
Molecular systems design & engineering, 2 (3), 301-320, 2017
[DOI: 10.1039/C7ME00026J]

Schilling, Johannes
Tillmanns, Dominik
Lampe, Matthias
Hopp, M.
Gross, J.
et al.

[Contribution to a conference proceedings, Journal Article]
SPREAD - Exploring the decision space in energy systems synthesis
Computers & chemical engineering, 106, 297-308, 2017
[DOI: 10.1016/j.compchemeng.2017.06.002]

Hennen, Maike Renate
Lampe, Matthias
Voll, Philip
Bardow, André (Corresponding author)

[Poster]
Fundamental investigation of the oxidation kinetics of dimethoxy methane
5. International Conference 2017 Tailor-Made Fuels - From Production to Propulsion Aachen 2017-06-20 - 2017-06-22, 2017

Jacobs, Sascha (Corresponding author)
Burke, Ultan
Kröger, Leif Christian
Kopp, Wassja Alexander
Döntgen, Malte
et al.

[Poster]
Experimental and theoretical study of the kinetics and reactions mechanism of dimethoxy methane
8. European Combustion Meeting Dubrovnik 2017-04-18 - 2017-04-21, 2017

Jacobs, Sascha (Corresponding author)
Burke, Ultan
Kröger, Leif Christian
Kopp, Wassja Alexander
Döntgen, Malte
et al.

[Conference Presentation]
Experimental and Numerical Kinetics Study of a Novel Biofuel for Spark-ignition Engine Combustion: Cyclopentanol
5. International Conference 2017 Tailor-Made Fuels - From Production to Propulsion Aachen 2017-06-20 - 2017-06-22, 2017

Cai, Liming (Corresponding author)
Ramalingam, Ajoy Kumar
Döntgen, Malte
Kruse, Stephan
Minwegen, Heiko Julian
et al.

[Journal Article]
A milliliter-scale setup for the efficient characterization of isothermal vapor-liquid equilibria using Raman spectroscopy
Fluid phase equilibria, 446, 36-45, 2017
[DOI: 10.1016/j.fluid.2017.04.014]

Liebergesell, Bastian
Flake, Carsten
Brands, Thorsten
Koß, Hans-Jürgen
Bardow, André (Corresponding author)

[Contribution to a book, Contribution to a conference proceedings]
Integrated Process and Molecular Design with Modelica Using Continuous-Molecular Targeting
Proceedings of the 12th International Modelica Conference : May 15-17, 2017, Clarion Congress Hotel Prague, Czech Republic / the conference is organized by The Czech Society for Cybernetics and Informatics (ČSKI) and Politecnico di Milano in cooperation with the Modelica Association ; editors: Doc. MUDr. Jiří Kofránek, CSc. and Prof. Francesco Casella, 101-110, 2017
[DOI: 10.3384/ecp17132101]

Gertig, Christoph Udo
Tillmanns, Dominik
Schilling, Johannes
Bau, Uwe
Lanzerath, Franz
et al.

[Poster]
Dissociation cascades of oxymethylene ethers
8. European Combustion Meeting Dubrovnik 2017-04-18 - 2017-04-21, 2017

Döntgen, Malte
Wächter, Daniel
Kröger, Leif Christian
Kopp, Wassja Alexander
Leonhard, Kai (Corresponding author)

[Poster]
Hydrogen Abstraction and Subsequent beta-Scission of Dimethoxymethane
8. European Combustion Meeting Dubrovnik 2017-04-18 - 2017-04-21, 2017

Kröger, Leif Christian
Kopp, Wassja Alexander
Döntgen, Malte
Jacobs, Sascha
Burke, Ultan
et al.

[Book, Dissertation / PhD Thesis]
Reaction models from reactive molecular dynamics and high-level kinetics predictions
Aachener Beiträge zur technischen Thermodynamik 9, 2017

Döntgen, Malte

[Journal Article]
Life cycle assessment of CO 2 -based C1-chemicals
Green chemistry : GC, TBD, 1-44, 2017
[DOI: 10.1039/C6GC02852G]

Sternberg, André Dirk
Jens, Christian M.
Bardow, André (Corresponding author)

[Journal Article]
Discussion of the Separation of Chemical and Relaxational Kinetics of Chemically Activated Intermediates in Master Equation Simulations
The journal of physical chemistry / A, 121 (8), 1563-1570, 2017
[DOI: 10.1021/acs.jpca.6b12927]

Döntgen, Malte (Corresponding author)
Leonhard, Kai

[Journal Article]
Towards low carbon business park energy systems: A holistic techno-economic optimisation model
Energy : the international journal, 125, 747-770, 2017
[DOI: 10.1016/j.energy.2017.02.081]

Timmerman, Jonas (Corresponding author)
Hennen, Maike Renate
Bardow, André
Lodewijks, Pieter
Vandevelde, Lieven
et al.

[Journal Article]
Improved Property Predictions by Combination of Predictive Models
Industrial & engineering chemistry, 56 (11), 3098-3106, 2017
[DOI: 10.1021/acs.iecr.6b03125]

Kaminski, Sebastian
Kirgios, Evagelos
Bardow, André
Leonhard, Kai (Corresponding author)

[Journal Article]
Refrigeration below zero °C: Adsorption chillers using water with ethylene glycol as antifreeze
International journal of refrigeration, 77, 39-47, 2017
[DOI: 10.1016/j.ijrefrig.2017.02.025]

Seiler, Jan Michael
Hackmann, Jonas
Lanzerath, Franz
Bardow, André (Corresponding author)

[Journal Article]
Prediction of Chain Propagation Rate Constants of Polymerization Reactions in Aqueous NIPAM/BIS and VCL/BIS Systems
The journal of physical chemistry / B, 121 (13), 2887-2895, 2017
[DOI: 10.1021/acs.jpcb.6b09147]

Kröger, Leif Christian
Kopp, Wassja Alexander
Leonhard, Kai (Corresponding author)

[Contribution to a book, Journal Article]
Editorial to iCAMD special issue
Chemical engineering science, 159, 1-2, 2017
[DOI: 10.1016/j.ces.2016.12.038]

Adjiman, Claire
Bardow, André

[Journal Article]
Experimental and numerical study of a novel biofuel: 2-Butyltetrahydrofuran
Combustion and flame, 178, 257-267, 2017
[DOI: 10.1016/j.combustflame.2016.12.021]

Cai, Liming (Corresponding author)
Minwegen, Heiko Julian
Beeckmann, Joachim
Burke, Ultan
Tripathi, Rupali
et al.

[Book]
iCAMD - Integrating Computer-Aided Molecular Design into Product and Process Design
Chemical engineering science, 159, 230 Seiten, 2016

Adjiman, Claire (Editor)
Bardow, André (Editor)

[Contribution to a book, Journal Article]
Robust multi-objective optimization for sustainable design of distributed energy supply systems
Computers & chemical engineering, 102, 26-39, 2016
[DOI: 10.1016/j.compchemeng.2016.11.038]

Hollermann, Dinah Elena
Wirtz, Marco
Lampe, Matthias
Bardow, André (Corresponding author)

[Journal Article]
Multi-objective synthesis of energy systems: Efficient identification of design trade-offs
Computers & chemical engineering, 97 (2), 283-293, 2016
[DOI: 10.1016/j.compchemeng.2016.10.010]

Hennen, Maike Renate
Postels, Sarah
Voll, Philip
Lampe, Matthias
Bardow, André (Corresponding author)

[Journal Article]
TRusT: A Two-stage Robustness Trade-off approach for the design of decentralized energy supply systems
Energy : the international journal, 118, 590-599, 2016
[DOI: 10.1016/j.energy.2016.10.065]

Hollermann, Dinah Elena
Lampe, Matthias
Voll, Philip
Bardow, André (Corresponding author)

[Journal Article]
Flame-temperature, light-attenuation, and CO measurements by spontaneous Raman scattering in non-sooting diesel-like jets
Combustion and flame, 176, 104-116, 2017
[DOI: 10.1016/j.combustflame.2016.09.027]

Raffius, Thomas Michael (Corresponding author)
Schulz, Christian
Ottenwälder, Tamara Sophia
Grünefeld, Gerd
Koß, Hans-Jürgen
et al.

[Journal Article]
Ab initio kinetics predictions for H-atom abstraction from 2-butanone by H˙ and C˙H3 and the subsequent unimolecular reactions
Proceedings of the Combustion Institute, 36 (1), 203-210, 2016
[DOI: 10.1016/j.proci.2016.06.162]

Kopp, Wassja Alexander
Burke, Ultan
Döntgen, Malte
Kröger, Leif Christian
Minwegen, Heiko Julian
et al.

[Journal Article]
Hot β-scission of radicals formed via hydrogen abstraction
Proceedings of the Combustion Institute, 36 (1), 135-142, 2016
[DOI: 10.1016/j.proci.2016.06.088]

Döntgen, Malte
Kröger, Leif Christian
Leonhard, Kai (Corresponding author)

[Contribution to a book, Journal Article]
COSMO-CAMD: A Framework for Optimization-Based Computer-Aided Molecular Design using COSMO-RS
Chemical engineering science, 159, 84-92, 2016
[DOI: 10.1016/j.ces.2016.05.038]

Scheffczyk, Jan David
Fleitmann, Lorenz Heinrich Johannes
Schwarz, Annett
Lampe, Matthias
Bardow, André
et al.

[Contribution to a book, Journal Article]
1-stage CoMT-CAMD: An approach for integrated design of ORC process and working fluid using PC-SAFT
Chemical engineering science, 159, 217-230, 2017
[DOI: 10.1016/j.ces.2016.04.048]

Schilling, Johannes
Lampe, Matthias
Gross, Joachim
Bardow, André (Corresponding author)

[Contribution to a book, Contribution to a conference proceedings]
A Quantitative Investigation of Surface Roughness Effects on Airfoil Boundary Layer Transition Using Infrared Thermography
54th AIAA Aerospace Sciences Meeting 2016 : San Diego, California, USA, 4-8 January 2016 : held at the AIAA SciTech Forum 2016 / American Institute of Aeronautics and Astronautics. - Volume 21, 17250-17261, 2016

Beeby, Todd D.
Ackermann, Jan M.
Langel, Christopher M.
Chow, Raymond
Van Dam, Case P. (Corresponding author)
et al.

[Conference Presentation]
Life Cycle Assessment of P2X-technologies
CAE Grenoble 2016-06-12 - 2016-06-12, 2016

Deutz, Sarah
Sternberg, André Dirk
Bardow, André

[Conference Presentation]
The environmental potential of CO2 reactions: a screening study
i-SUP2016 Antwerp 2016-10-18 - 2016-10-18, 2016

Deutz, Sarah
von der Aßen, Niklas Vincenz
Lorente Lafuente, Ana Maria
Bardow, André

[Conference Presentation]
Reactions with benefits? Screening the environmental potential of CO2 reactions
14. International Conference on Carbon Dioxide Utilization Sheffield 2016-09-11 - 2016-09-15, 2016

Deutz, Sarah
von der Aßen, Niklas Vincenz
Lorente Lafuente, Ana Maria
Bardow, André

[Conference Presentation]
The Symbiosis of Measuring and Predicting Property Data
2016 AIChE Annual Meeting San Francisco, CA 2016-11-13 - 2016-11-18, 2016

Kaminski, Sebastian
Bardow, André
Leonhard, Kai

[Conference Presentation]
Nutzung der Elektronendichte zur quantenmechanischen Vorhersage von PCP-SAFT-Parametern
Thermodynamik-Kolloquium 2016 2018-10-05 - 2018-10-07, 2016

Kaminski, Sebastian
Leonhard, Kai

[Contribution to a book, Contribution to a conference proceedings]
Strictly robust optimal design of decentralized energy systems
28th International Conference on Efficiency, Cost, Optimization, Simulation and Environmental Impact of Energy Systems (ECOS 2016) : Pau, France, 30 June-3 July 2015 / Laboratoire de thermique, énergétique et procédés (LaTEP), LaTEP-University Pau & Pays Adour. - Volume 2, 751-762, 2015

Hollermann, Dinah Elena
Voll, Philip
Bardow, André

[Poster]
Modeling of Microgel Synthesis by Precipitation Polymerization
ProcessNet-Jahrestagung Aachen 2016-09-12 - 2016-09-15, 2016

Janssen, Franca Alisa Laura (Corresponding author)
Kather, Michael
Kröger, Leif Christian
Mhamdi, Adel
Leonhard, Kai
et al.

[Poster]
Modeling of Microgel Synthesis by Precipitation Polymerization
2016 AIChE Annual Meeting San Francisco, CA 2016-11-13 - 2016-11-18, 2016

Janssen, Franca Alisa Laura
Kather, Michael
Kröger, Leif Christian
Mhamdi, Adel
Leonhard, Kai
et al.

[Contribution to a book, Contribution to a conference proceedings]
Rigorous assessment of adsorber bed designs using dynamic optimization
[Heat Powered Cycles 2016, 2016-06-26 - 2016-06-29, Nottingham, UK], 2016

Bau, Uwe
Hoseinpoori, Pooya
Graf, Stefan Wilhelm
Schreiber, Heike
Lanzerath, Franz
et al.

[Contribution to a book, Contribution to a conference proceedings]
Heat loss in adsorption thermal energy storage: modeling and experimental validation
[Heat Powered Cycles 2016, 2016-06-26 - 2016-06-29, Nottingham, UK], 2016

Schreiber, Heike
Bau, Uwe
Lanzerath, Franz
Bardow, André

[Conference Presentation]
LCA-based property targeting for materials in early development stages
LCA XVI Charleston 2016-09-27 - 2016-09-29, 2016

Müller, Leonard Jan
von der Aßen, Niklas Vincenz
Bardow, André

[Conference Presentation]
Selecting environmentally optimal CO2 sources for CO2 utilization
International Conference for Carbon Capture and Utilization XIV Sheffield 2016-09-11 - 2016-09-15, 2016

von der Aßen, Niklas Vincenz
Müller, Leonard Jan
Steingrube, Annette
Voll, Philip
Bardow, André

[Conference Presentation]
LCA of CO2-based polyols and polyurethanes
5. Conference on Carbon Dioxide as Feedstock for Fuels, Chemistry and Polymers Köln 2016-12-06 - 2016-12-07, 2016

Müller, Leonard Jan
Bardow, André

[Conference Presentation]
A Kinetic Modeling Study of High Temperature Gamma-Valerolactone (GVL) Combustion Including Multiple Well-skipping Hot Beta-Scission
4. International Conference on Tailor-Made Fuels : From Production to Propulsion Aachen 2016-06-21 - 2016-06-23, 2016

Döntgen, Malte
Tripathi, Rupali
Minwegen, Heiko Julian
Kopp, Wassja Alexander
Sudholt, Alena
et al.

[Poster]
Stochastic Rectangular Choice-of-Technology Model for Consequential Life Cycle Assessment
Industrial Ecology Gordon Research Conference Stowe, 2016

Kätelhön, Arne
Frankemölle, Jana
Bardow, André
Suh, Sangwon

[Conference Presentation]
Novel adsorbents for drying applications: The trade-off between uptake and kinetics
IVth International Symposium on Innovative Materials for Processes in Energy Systems Taormina 2016-10-23 - 2016-10-26, 2016

Erdogan, Meltem
Graf, Stefan Wilhelm
Bau, Uwe
Lanzerath, Franz
Maaz, Swaantje
et al.

[Conference Presentation]
Neue Sorbentien für Trocknungsanwendungen: Kapazität versus Kinetik
Thermodynamik - Kolloquium Kaiserslautern 2016-10-05 - 2016-10-07, 2016

Erdogan, Meltem
Graf, Stefan Wilhelm
Bau, Uwe
Lanzerath, Franz
Maaz, Swaantje
et al.

[Website]
Design of energy supply systems: Is optimal always the best?
energy futures lab, 2016

Hennen, Maike Renate

[Contribution to a book, Contribution to a conference proceedings]
Hybride Klimatisierung für Elektrofahrzeuge mit Wärmepumpe und offenem Sorptionssystem
Annual Meeting of the Deutscher Kaelte und Klimatechnischer Verein 2016 : Deutsche Kaelte-und Klimatagung 2016 : Kassel, Germany 16 - 18 November 2016, Kassel. - Vol. 2, 948-963, 2016

Bau, Uwe
Schreiber, Heike
Lanzerath, Franz
Bardow, André

[Journal Article]
Life cycle assessment of hydrogen production by thermal cracking of methane based on liquid-metal technology
International journal of hydrogen energy, 41 (48), 23204-23212, 2016
[DOI: 10.1016/j.ijhydene.2016.09.167]

von Pfingsten, Sarah
Abánades, Alberto
von der Aßen, Niklas Vincenz
Rathnam, Renu Kumar
Stückrad, Stefan
et al.

[Journal Article]
General formulation of rovibrational kinetic energy operators and matrix elements in internal bond-angle coordinates using factorized Jacobians
The journal of chemical physics, 145 (23), 234102, 2016
[DOI: 10.1063/1.4972224]

Kopp, Wassja Alexander
Leonhard, Kai (Corresponding author)

[Journal Article]
Effiziente Kältebereitstellung durch Kopplung von Adsorptions-und CO2-Kompressionskälteanlage
KI - Luft- und Kältetechnik, 2016 (12), 46-50, 2016

Gibelhaus, Andrej
Fidorra, Nicolas
Lanzerath, Franz
Schnabel, Lena
Bardow, André

[Conference Presentation]
Effiziente Kältebereitstellung durch Kopplung von Adsorptions- und CO2-Kompressions­kälteanlage
Deutscher Kälte- und Klimatechnischer Verein (DKV) e.V.: Tagung 2016 Kassel 2016-11-16 - 2016-11-18, 2016

Gibelhaus, Andrej
Fidorra, Nicolas
Lanzerath, Franz
Schnabel, Lena
Köhler, Jürgen
et al.

[Poster]
Energieeffiziente Produktion und Nachbehandlungvon Wasserstoff für Power-to-Gas Anwendungen
Thermodynamik-Kolloquium Kaiserslautern 2016-10-05 - 2016-10-06, 2016

Gibelhaus, Andrej
Tjarks, Geert
Lanzerath, Franz
Müller, Martin
Stolten, Detlef
et al.

[Conference Presentation]
Linearized Optimization Models for Decentralized Energy Supply Systems
International Conference on Operations Research Hamburg 2016-08-30 - 2016-09-02, 2016

Comis, Martin
Bahl, Björn
Bardow, André
Goderbauer, Sebastian
Koster, Arie Marinus

[Website]
DESSLib - Benchmark Instances for Optimization of Decentralized Energy Supply Systems, 2016

Bahl, Björn
Goderbauer, Sebastian
Arnold, Fritz
Voll, Philip
Lübbecke, Marco
et al.

[Journal Article]
Engineering, environmental and economic performance evaluation of high-gravity carbonation process for carbon capture and utilization
Applied energy, 170, 269-277, 2016
[DOI: 10.1016/j.apenergy.2016.02.103]

Pan, Shu-Yuan
Lorente Lafuente, Ana Maria
Chiang, Pen-Chi (Corresponding author)

[Contribution to a conference proceedings, Journal Article]
Estimation of the binary interaction parameter kij of the PC-SAFT Equation of State based on pure component parameters using a QSPR method
Fluid phase equilibria, 416, 138-149, 2016
[DOI: 10.1016/j.fluid.2015.12.016]

Stavrou, Marina
Bardow, André
Gross, Joachim (Corresponding author)

[Journal Article]
Analytic energy-level densities of separable harmonic oscillators including approximate hindered rotor corrections
AIP Advances, 6 (9), 095318, 2016
[DOI: 10.1063/1.4963921]

Döntgen, Malte (Corresponding author)

[Contribution to a conference proceedings, Journal Article]
Massive, Automated Solvent Screening for Minimum Energy Demand in Hybrid Extraction-Distillation using COSMO-RS
Chemical engineering research and design : CERD, 115 (B, SI), 433-442, 2016
[DOI: 10.1016/j.cherd.2016.09.029]

Scheffczyk, Jan David
Redepenning, Christian
Jens, Christian M.
Winter, Benedikt
Leonhard, Kai
et al.

[Journal Article]
The trade-off between experimental effort and accuracy for determination of PCP-SAFT parameters
Fluid phase equilibria, 428, 182-189, 2016
[DOI: 10.1016/j.fluid.2016.06.004]

Kaminski, Sebastian
Bardow, André
Leonhard, Kai (Corresponding author)

[Conference Presentation]
Verdampfung des natürlichen Kältemittels Wasser an porösen Oberflächen
Jahrestreffen der ProcessNet-Fachgruppe Wärme- und Stoffübertragung Kassel 2016-03-01 - 2016-03-02, 2016

Seiler, Jan Michael
Jörres, Sebastian
Lanzerath, Franz
Bardow, André

[Conference Presentation]
Tailoring Solvents for Energy-Efficient Production of Bio-Based Platform Chemicals
4. Internationale TMFB (Tailor-Made Fuels from Biomass) Conference Aachen 2016-06-21 - 2016-06-23, 2016

Scheffczyk, Jan David
Redepenning, Christian
Leonhard, Kai
Marquardt, Wolfgang
Bardow, André

[Journal Article]
An adaptive discretization MINLP algorithm for optimal synthesis of decentralized energy supply systems
Computers & chemical engineering, 95, 38-48, 2016
[DOI: 10.1016/j.compchemeng.2016.09.008]

Goderbauer, Sebastian
Bahl, Björn
Voll, Philip
Lübbecke, Marco
Bardow, André
et al.

[Journal Article]
CO from CO2 and fluctuating renewable energy via formic-acid derivatives
Green chemistry : GC, 18, 5621-5629, 2016
[DOI: 10.1039/C6GC01202G]

Jens, Christian
Nowakowski, Kristina
Scheffczyk, Jan David
Leonhard, Kai
Bardow, André (Corresponding author)

[Contribution to a book, Contribution to a conference proceedings]
Time-series aggregation for synthesis of distributed energy supply systems by bounding error in operational expenditure
26th European Symposium on Computer Aided Process Engineering / edited by Zdravko Kravanja and Miloš Bogataj, 793-798, 2016
[DOI: 10.1016/B978-0-444-63428-3.50137-5]

Bahl, Björn
Kümpel, Alexander
Lampe, Matthias
Bardow, André (Corresponding author)

[Journal Article]
On the assessment of renewable industrial processes: Case study for solar co-production of methanol and power
Applied energy, 183, 121-132, 2016
[DOI: 10.1016/j.apenergy.2016.08.141]

von Storch, Henrik (Corresponding author)
Roeb, Martin
Stadler, Hannes
Sattler, Christian
Bardow, André
et al.

[Journal Article]
The impact of filling level resolved: Capillary-assisted evaporation of water for adsorption heat pumps
Applied thermal engineering, 102, 513-519, 2016
[DOI: 10.1016/j.applthermaleng.2016.03.052]

Lanzerath, Franz
Seiler, Jan Michael
Erdogan, Meltem
Schreiber, Heike
Steinhilber, Matthias
et al.

[Contribution to a book, Contribution to a conference proceedings]
Optimization-based identification of potential for demand-side management
28th International Conference on Efficiency, Cost, Optimization, Simulation and Environmental Impact of Energy Systems (ECOS 2015) : Pau, France, 30 June-3 July 2015 / Laboratoire de thermique, énergétique et procédés (LaTEP), LaTEP-University Pau & Pays Adour. - Volume 1, 643-653, 2016

Bahl, Björn
Voll, Philip
Bardow, André

[Conference Presentation]
Computational study of cononsolvency of N-substituted polyacrylamides
28. European Symposium on Applied Thermodynamics Athens 2015-06-11 - 2015-06-14, 2016

Schwarz, Annett
Keidel, Rico Horst
Bardow, André
Leonhard, Kai

[Contribution to a book, Contribution to a conference proceedings]
Computer-Aided Molecular Design by Combining Genetic Algorithms and COSMO-RS
26th European Symposium on Computer Aided Process Engineering / Edited by Zdravko Kravanja and Miloš Bogataj, 115-120, 2016
[DOI: 10.1016/B978-0-444-63428-3.50024-2]

Scheffczyk, Jan David
Fleitmann, Lorenz Heinrich Johannes
Schwarz, Annett
Bardow, André (Corresponding author)
Leonard, Kai

[Contribution to a conference proceedings]
Working fluid selection for Organic Rankine Cycles based on continuous-molecular targets
[3rd International Seminar on ORC Power Systems, ASME ORC 2015, 12.10.2015-14.10.2015, Brussels, Belgium / Editors: V. Lemort, S. Quoilin, M. De Paepe and M. van den Broek], 10 Seiten, 2016

Schilling, Johannes
Lampe, Matthias
Gross, Joachim
Bardow, André (Corresponding author)

[Poster]
Microfluidic Measurements of Diffusion in Liquids Using Confocal Raman Spectroscopy
14. International Conference on Properties and Phase Equilibria for Product and Process Design Porto 2016-05-22 - 2016-05-26, 2016

Peters, Christine Jutta
Thien, Julia Jutta
Haase, Sandra
Flake, Carsten
Wolff, Ludger Wolfgang Michael
et al.

[Journal Article]
Stochastic Rectangular Choice-of-Technology Model for Consequential Life Cycle Assessment
Environmental science & technology letters, 50 (23), 12575-12583, 2016
[DOI: 10.1021/acs.est.6b04270]

Kätelhön, Arne
Bardow, André
Sangwon, Suh (Corresponding author)

[Journal Article]
Life Cycle Assessment of Power-to-Gas: Syngas vs Methane
ACS sustainable chemistry & engineering, 4 (8), 4156-4165, 2016
[DOI: 10.1021/acssuschemeng.6b00644]

Sternberg, André Dirk
Bardow, André (Corresponding author)

[Conference Presentation]
Laser-diagnostic flame measurements under non-sooting diesel-like conditions with a renewable fuel
4. TMFB International Conference Aachen 2016-06-21 - 2016-06-23, 2016

Ottenwälder, Tamara Sophia (Corresponding author)
Schulz, Christian
Raffius, Thomas Michael
Grünefeld, Gerd
Pischinger, Stefan

[Poster]
CO2/2-MTHF/H2O as tunable reaction medium for biomass-based processes
4. TMFB International Conference Aachen 2016-06-21 - 2016-06-23, 2016

Aigner, Maximilian
Echtermeyer, Alexander Walter Wilhelm
Kaminski, Sebastian
Viell, Jörn
Mitsos, Alexander
et al.

[Contribution to a book, Contribution to a conference proceedings]
Hybride Klimatisierung für Elektrofahrzeuge: Kombination von Wärmepumpe und offenem Sorptionssystem
Wärmemanagement des Kraftfahrzeugs X : Energiemanagement / Prof. Dr.-Ing. Peter Steinberg (Hrsg.) und 66 Mitautoren, 177-193, 2016

Bau, Uwe
Schreiber, Heike
Lanzerath, Franz
Bardow, André

[Conference Presentation]
Integrated design of ORC processes and working fluids based on equilibrium and transport properties from PCP-SAFT
14. International Conference on Properties and Phase Equilibria for Product and Process Design Porto 2016-05-22 - 2016-05-26, 2016

Schilling, Johannes
Tillmanns, Dominik
Lampe, Matthias
Hopp, Madlen
Gross, Joachim
et al.

[Contribution to a book, Contribution to a conference proceedings]
One-stage approach for the integrated design of ORC processes and working fluid using PC-SAFT
26th European Symposium on Computer Aided Process Engineering / edited by Zdravko Kravanja and Miloš Bogataj, 1335-1340, 2016
[DOI: 10.1016/B978-0-444-63428-3.50227-7]

Schilling, Johannes
Lampe, Matthias
Groß, Joachim
Bardow, André

[Journal Article]
The optimal diffusion experiment
Chemical engineering science, 152, 392-402, 2016
[DOI: 10.1016/j.ces.2016.06.012]

Wolff, Ludger Wolfgang Michael
Koß, Hans-Jürgen
Bardow, André (Corresponding author)

[Book, Dissertation / PhD Thesis]
Optische Untersuchung der Zündvorgänge und deren Auswirkung auf die Verbrennung in PKW-Motoren
Aachener Beiträge zur technischen Thermodynamik 8, 2016

Hülser, Thomas

[Journal Article]
Heat lost or stored: Experimental analysis of adsorption thermal energy storage
Applied thermal engineering, 106, 981-991, 2016
[DOI: 10.1016/j.applthermaleng.2016.06.058]

Schreiber, Heike
Lanzerath, Franz
Reinert, Christiane
Grüntgens, Christoph
Bardow, André (Corresponding author)

[Journal Article]
Stickstoffbasierte Kraftstoffe: eine "Power-to-Fuel-to-Power"-Analyse
Angewandte Chemie, 128 (31), 8942-8949, 2016
[DOI: 10.1002/ange.201510618]

Grinberg Dana, Alon
Elishav, Oren
Bardow, André
Shter, Gennady E.
Grader, Gideon S. (Corresponding author)

[Journal Article]
Nitrogen-Based Fuels: A Power-to-Fuel-to-Power Analysis
Angewandte Chemie / International edition, 55 (31), 8798-8805, 2016
[DOI: 10.1002/anie.201510618]

Grinberg Dana, Alon
Elishav, Oren
Bardow, André
Shter, Gennady E.
Grader, Gideon S. (Corresponding author)

[Book, Dissertation / PhD Thesis]
Efficient measurement of liquid-liquid equilibria using automation and optimal experimental design
Aachener Beiträge zur technischen Thermodynamik 5, 2016

Dechambre, Dominique

[Poster]
Combining predictive models: predictive PCP-SAFT & COSMO-RS
14. International Conference on Properties & Phase Equilibria for Product and Process Design Porto 2016-05-22 - 2016-05-26, 2016

Kaminski, Sebastian
Bardow, André
Leonhard, Kai (Corresponding author)

[Journal Article]
Predicting Octanol/Water Partition Coefficients of Alcohol Ethoxylate Surfactants Using a Combination of Molecular Dynamics and the Conductor-like Screening Model for Realistic Solvents
Industrial & Engineering Chemistry Research, 55 (16), 4782-4789, 2016
[DOI: 10.1021/acs.iecr.5b04955]

Yamin, Peyman
Isele-Holder, Rolf E.
Leonhard, Kai (Corresponding author)

[Conference Presentation]
Computer-Aided Molecular Design using process shortcut models and COSMO-RS
CAPE Forum Valais-Wallis, Sion 2016-03-30 - 2016-04-01, 2016

Scheffczyk, Jan David
Redepenning, Christian
Leonhard, Kai
Bardow, André

[Journal Article]
Direct Phase Equilibrium Simulations of NIPAM Oligomers in Water
The journal of physical chemistry / B, 120 (13), 3434-3440, 2016
[DOI: 10.1021/acs.jpcb.6b00228]

Botan, Vitalie
Ustach, Vincent
Faller, Roland
Leonhard, Kai (Corresponding author)

[Book, Dissertation / PhD Thesis]
Integrated design of process and working fluids for organic rankine cycles
Aachener Beiträge zur Technischen Thermodynamik 7, 2015

Lampe, Matthias

[Journal Article]
A comprehensive experimental and kinetic modeling study of butanone
Combustion and flame, 168, 296-309, 2016
[DOI: 10.1016/j.combustflame.2016.03.001]

Burke, Ultan (Corresponding author)
Beeckmann, Joachim
Kopp, Wassja Alexander
Uygun, Yasar
Olivier, Herbert
et al.

[Journal Article]
Reactions of Chemically Activated Formic Acid Formed via HĊO + ȮH
The journal of physical chemistry / A, 120 (11), 1819-1824, 2016
[DOI: 10.1021/acs.jpca.6b00887]

Döntgen, Malte
Leonhard, Kai (Corresponding author)

[Journal Article]
Comparison of Raman, NIR, and ATR FTIR spectroscopy as analytical tools for in-line monitoring of CO2 concentration in an amine gas treating process
International journal of greenhouse gas control, 47, 17-24, 2016
[DOI: 10.1016/j.ijggc.2016.01.020]

Kachko, Alexandr
van der Ham, Leen V. (Corresponding author)
Bardow, André
Vlugt, Thijs J. H.
Goetheer, Earl L. V.

[Journal Article]
It is better to prevent waste than to treat or clean up waste after it is formed - or: what Benjamin Franklin has to do with "Green Chemistry"
Green chemistry, 18 (5), 1172-1174, 2016
[DOI: 10.1039/C6GC90023B]

Peters, Martina (Corresponding author)
von der Aßen, Niklas Vincenz

[Journal Article]
Systematic Identification of Solvents Optimal for the Extraction of 5-Hydroxymethylfurfural from Aqueous Reactive Solutions
ACS sustainable chemistry & engineering, 4 (1), 228-235, 2015
[DOI: 10.1021/acssuschemeng.5b01036]

Blumenthal, Lena C.
Jens, Christian
Ulbrich, Jörn
Schwering, Frank
Langrehr, Vanessa
et al.

[Journal Article]
Prediction of SCP and COP for adsorption heat pumps and chillers by combining the large-temperature-jump method and dynamic modeling
Applied thermal engineering, 98, 900-909, 2016
[DOI: 10.1016/j.applthermaleng.2015.12.002]

Graf, Stefan Wilhelm
Lanzerath, Franz
Sapienza, Alessio
Frazzica, Andrea
Freni, Angelo
et al.

[Journal Article]
Selecting CO2 Sources for CO2 Utilization by Environmental-Merit-Order Curves
Environmental science & technology, 50 (3), 1093-1101, 2016
[DOI: 10.1021/acs.est.5b03474]

von der Aßen, Niklas Vincenz
Müller, Leonard Jan
Steingrube, Annette
Voll, Philip
Bardow, André (Corresponding author)

[Contribution to a book, Contribution to a conference proceedings]
A Quantitative Investigation of Surface Roughness Effects on Airfoil Boundary Layer Transition Using Infrared Thermography
54th AIAA Aerospace Sciences Meeting : 4-8 January 2016, San Diego, California, USA, 1-12, 2016
[DOI: 10.2514/6.2016-2066]

Beeby, Todd D.
Ackermann, Jan M.
Langel, Christopher M.
Chow, Raymond
Van Dam, Case P. (Corresponding author)
et al.

[Dissertation / PhD Thesis]
Molecular density functional theory based on a hard particle reference potential, 2016

Korden, Stephan

[Contribution to a conference proceedings, Journal Article]
Model-free calibration of Raman measurements of reactive systems: Application to monoethanolamine/water/CO2
Fluid phase equilibria, 424, 52-57, 2015
[DOI: 10.1016/j.fluid.2015.10.004]

Beumers, Peter Christoph
Brands, Thorsten
Koß, Hans-Jürgen
Bardow, André (Corresponding author)

[Contribution to a book]
Chapter 5: Diffusion in Liquids : Experiments, Molecular Dynamics, and Engineering Models
Non-equilibrium thermodynamics with applications / ed. by Dick Bedeaux, Signe Kjelstrup, Jan Sengers, 2015
[DOI: 10.1039/9781782622543-00078]

Peters, Christine Jutta
Wolff, Ludger Wolfgang Michael
Vlugt, Thijs J. H.
Bardow, André

[Poster]
Fuel Spray, Flow and Mixing : Analysis of primary jet breakup
3. TMFB International Conference Aachen 2015-06-23 - 2015-06-25, 2015

Kirsch, Valeri
Reddemann, Manuel Armin
Palmer, Johannes
Kneer, Reinhold
Deshmukh, Abhishek Yashwant
et al.

[Conference Presentation]
A comprehensive experimental and modelling study of 2-butanone
3. International TMFB conference Aachen 2015-06-23 - 2015-06-25, 2015

Burke, Ultan (Corresponding author)
Heufer, Karl Alexander
Uygun, Yasar
Olivier, Herbert
Kopp, Wassja Alexander
et al.

[Poster]
Theoretical study on the beta-scission kinetics of 2-butanone (WIPP)
3. International TMFB conference = 3. Internationale Konferenz TMFB Aachen 2015-06-23 - 2015-06-25, 2015

Minwegen, Heiko Julian (Corresponding author)
Kopp, Wassja Alexander
Döntgen, Malte
Burke, Ultan
Leonhard, Kai
et al.

[Journal Article]
Tomographic Particle-Image Velocimetry Analysis of In-Cylinder Flows
SAE International journal of engines, 8 (3), 1447-1467, 2015
[DOI: 10.4271/2015-01-9042]

van Overbrüggen, Timo (Corresponding author)
Klaas, Michael
Bahl, Björn
Schröder, Wolfgang

[Poster]
Volume phase transition of microgels induced by cononsolvency: a combined experimental and theoretical study
JARA-SOFT Gründungskolloquium Jülich 2015-05-13 - 2015-05-13, 2015

Schwarz, Annett
Keidel, Rico Horst
Leonhard, Kai
Bardow, André
Wortmann, H.
et al.

[Poster]
Modeling the cononsolvency effect of thermoresponsive polymers in mixtures of water and organic solvents with COSMO-RS
114. General Assembly of the German Bunsen Society for Physical Chemistry Bochum 2015-05-14 - 2015-05-16, 2015

Schwarz, Annett
Keidel, Rico Horst
Bardow, André
Leonhard, Kai

[Poster]
Volume phase transition of microgels induced by cononsolvency: a combined experimental and theoretical study
Joint Summer School of SFB 985 and Georgia Tech Aachen 2015-06-01 - 2015-06-03, 2015

Schwarz, Annett
Keidel, Rico Horst
Leonhard, Kai
Bardow, André
Wortmann, A.
et al.

[Poster]
Reaction model development : A forward approach
3. Aachen Conference on Computational Engineering Science Aachen 2015-07-20 - 2015-07-23, 2015

Döntgen, Malte
Kröger, Leif Christian
Leonhard, Kai

[Poster]
Vorhersage thermodynamischer Gleichgewichtskonstanten aus reaktiven Simulationen
Thermodynamik-Kolloquium 2015 Bochum 2015-10-05 - 2015-10-07, 2015

Döntgen, Malte
Kopp, Wassja Alexander
Przybylski-Freund, Marie-Dominique
Kröger, Leif Christian
Leonhard, Kai

[Conference Presentation]
Hierarchical Model-based Entrainer Identification for the Separation of Two and Three-Component Mixtures Using COSMO-RS
10. European Congress of Chemical Engineering Nice 2015-09-27 - 2015-10-01, 2015

Klein, A.
Leonhard, Kai
Täschler, C.
Bardow, André
Jens, C.
et al.

[Conference Presentation]
Kombination von reaktiver Molekulardynamik mit ab-initio Verfahren zur effizienten Bestimmung von Reaktionsraten
Thermodynamik-Kolloquium 2015 Bochum 2015-10-05 - 2015-10-07, 2015

Kopp, Wassja Alexander
Döntgen, Malte
Przybylski-Freund, Marie-Dominique
Leonhard, Kai

[Conference Presentation]
Techno-economic evaluation of production concepts for 2-Methyltetrahydrofuran (2-MTHF) from biomass
ProcessNet Jahrestreffen der Fachgruppe Energieverfahrenstechnik Bonn 2015-09-23 - 2015-09-24, 2015

Scheffczyk, Jan David
Studtmann, Kilian
Zhap, Peng
Viell, Jörn
Bardow, André

[Conference Presentation]
Hierarchical model-based entrainer identification for the seperation of two or three component mixtures using COSMO-RS
10. European Congress on Chemical Engineering Nice 2015-09-27 - 2015-10-01, 2015

Klein, Andreas (Corresponding author)
Leonhard, Kai
Täschler, Christoph (Corresponding author)
Bardow, André
Jens, Christian
et al.

[Conference Presentation]
Integrated process concept for methyl formate production using methanol as both CO2 capture medium and reactant
13. International Conference on Carbon Dioxide Utilization Singapore 2015-09-05 - 2015-09-09, 2015

Jens, Christian
Wiebe, Johannes
Bardow, André
Leonhard, Kai

[Conference Presentation]
COSMO-RS as basis for systematic selection of reaction route, solvents and processes: Application to formic acid based reduction of CO2 to CO
4. COSMO-RS symposium Bonn 2015-03-16 - 2015-03-17, 2015

Jens, Christian
Bardow, André
Leonhard, Kai

[Conference Presentation]
On the potential of optimal experimental design for measurements of liquid-liquid equilibria
CAPE Forum 2015 Paderborn 2015-04-27 - 2015-04-29, 2015

Wolff, Ludger Wolfgang Michael
Dechambre, Dominique
Pauls, Christoph
Bardow, André

[Conference Presentation]
Bio-based 2 Methyltetrahydrofuran (2-MTHF): Challenges for large-scale production concepts
CAPE Forum 2015 Paderborn 2015-02-27 - 2015-02-29, 2015

Scheffczyk, Jan David
Studtmann, Kilian
Zhao, Peng
Viell, Jörn
Bardow, André

[Conference Presentation]
Life-Cycle Assessment of CO2-based C1-chemicals
13. International Conference on Carbon Dioxide Utilization Singapore 2015-07-05 - 2015-07-09, 2015

Sternberg, André Dirk
Bardow, André

[Conference Presentation]
Strictly robust optimal design of decentralized energy systems
28. International Conference on Efficiency, Cost, Optimization, Simulation and Environmental Impact of Energy Systems Pau 2015-06-29 - 2015-07-03, 2015

Hollermann, Dinah Elena
Voll, Philip
Bardow, André

[Abstract, Contribution to a conference proceedings]
Synthesis of energy supply systems by strictly robust optimization
17th British-French-German Conference on Optimization, 5-17 June 2015 : Book of abstracts / Computational Optimisation Group, Centre for Process Systems Engineering, Imperial College Business School, Imperial College London, 137-138, 2015

Hollermann, Dinah Elena
Voll, Philip
Bardow, André

[Conference Presentation]
Modelling and optimization of decentralized energy supply systems
Mixed-Integer Nonlinear Optimization Methods for Energy Systems Engineering Aachen 2015-03-09 - 2015-03-10, 2015

Hollermann, Dinah Elena
Voll, Philip
Bardow, André

[Conference Presentation]
Model-free analysis of Raman spectra for speciation of reactive CO2-H2O-Amine-Systems
28. Euorpean Symposium of Applied Thermodynamics Athens 2015-06-11 - 2015-06-14, 2015

Beumers, Peter Christoph
Vogt, Monika
Koß, Hans-Jürgen
Bathen, Dieter
Bardow, André

[Contribution to a book, Contribution to a conference proceedings]
Update of key reactions in the low-temperature oxidation chemistry of dimethyl ether and analytic ignition delay times
Proceedings book - ECM 2015 : Budapest, Hungary, March 30 - April 2, 2015, 6 Seiten, 2015

Döntgen, Malte (Corresponding author)
Beeckmann, Joachim
Leonhard, Kai
Pitsch, Heinz
Klippenstein, S. J.

[Conference Presentation]
Volume phase transition of microgels induced by cononsolvency: a combined experimental and theoretical study
Gründungskolloquium anlässlich der Gründung der Sektion JARA-SOFT (Soft Matter Science) Jülich 2015-05-13 - 2015-05-13, 2015

Schwarz, Annett
Keidel, Rico Horst
Leonhard, Kai
Bardow, André
Wortmann, Hannah
et al.

[Conference Presentation]
Modeling of the cononsolvency effect of thermoresponsive polymers in mixtures of water and organic solvents with COSMO-RS
Bunsentagung Bochum 2015-05-14 - 2015-05-16, 2015

Schwarz, Annett
Keidel, Rico Horst
Bardow, André
Leonhard, Kai

[Conference Presentation]
Reaction model development - A forward approach
3. Aachen Conference on Computational Engineering Science Aachen 2015-07-20 - 2015-07-23, 2015

Döntgen, Malte
Kröger, Leif Christian
Leonhard, Kai

[Conference Presentation]
Der Spagat zwischen Genauigkeit und Aufwand bei der Bestimmung von PC-SAFT-Parametern
Thermodynamik-Kolloquium Bochum 2015-10-05 - 2015-10-07, 2015

Kaminski, Sebastian
Bardow, André
Leonhard, Kai

[Conference Presentation]
Vorhersage thermodynamischer Gleichgewichtskonstanten aus reaktiven Simulationen
Thermodynamik-Kolloquium 2015 Bochum 2015-10-05 - 2015-10-07, 2015

Döntgen, Malte
Kopp, Wassja Alexander
Przybylski-Freund, Marie-Dominique
Kröger, Leif Christian
Leonhard, Kai

[Conference Presentation]
COSMO-RS-based solvent selection for a reaction to 5-hydroxymethylfurfural
7. Green Solvents Conference Dresden 2015-10-19 - 2015-10-22, 2015

Jens, Christian
Blumenthal, Lena
Palkovits, Regina
Leonhard, Kai

[Conference Presentation]
Modeling and design of microgels switchable by cononsolvency
Soft Smart Particles: Preparation and Applications Frankfurt am Main 2014-11-19 - 2014-11-19, 2015

Keidel, Rico Horst
Schwarz, Annett
Leonhard, Kai
Bardow, André
Wortmann, Hannah
et al.

[Conference Presentation]
An alternative fate of formyl: Formic acid as a combustion intermediate
International Chemical Congress of Pacific Basin Societies 2015 Honolulu, HI 2015-12-15 - 2015-12-20, 2015

Döntgen, Malte
Kopp, Wassja Alexander
Leonhard, Kai

[Conference Presentation]
Determination of reaction pathways, rates and transition states using reactive molecular dynamics simulations
International Workshop on Molecular Modeling and Simulation Frankfurt am Main 2015-03-23 - 2015-03-24, 2015

Döntgen, Malte
Przybylski-Freund, Marie-Dominique
Kröger, Leif Christian
Kopp, Wassja Alexander
Ismail, Ahmed E.
et al.

[Conference Presentation]
COSMO-RS as basis for systematic selection of reaction route, solvens and processes: Application to fromic acid based reduction of CO2 to CO
4. COSMO-RS Symposium Bonn 2015-03-16 - 2015-03-17, 2015

Jens, Christian
Bardow, André
Leonhard, Kai

[Conference Presentation]
Multi-scale structural modelling
Joint Summer School of SFB 985 Aachen 2015-06-02 - 2015-06-03, 2015

Leonhard, Kai

[Conference Presentation]
Integrated process concept for methylformate/dimethylcarbonate production using methanol as both CO2 capture medium and reactant
13. International Conference on Carbon Dioxide Utilization Singapore 2015-07-05 - 2015-07-09, 2015

Jens, Christian
Wiebe, Jens
Bardow, André
Leonhard, Kai

[Conference Presentation]
Integrated Screening of Extraction Processes and Solvents using a Robust and Accurate Shortcut Method
10. European Congress of Chemical Engineering Nice 2015-09-27 - 2015-10-01, 2015

Redepenning, Christian
Jens, Christian
Scheffczyk, Jan David
Leonhard, Kai
Bardow, André
et al.

[Conference Presentation]
Bestimmung von Diffusionskoeffizienten mit Mikrofluidik und konfokaler Raman-Spektroskopie
Thermodynamik-Kolloquium 2015 Bochum 2015-10-05 - 2015-10-07, 2015

Thien, Julia Jutta
Peters, Christine Jutta
Haase, Sandra
Flake, Carsten
Wolff, Ludger Wolfgang Michael
et al.

[Conference Presentation]
Backcasting life cycle sustainability assessment, incorporating technology improvement and trade
8. International Conference of the International Society for Industrial Ecology Guildford 2015-07-07 - 2015-07-10, 2015

Postels, Sarah
von der Aßen, Niklas Vincenz
de Koning, Arjan
Guinée, Jeroen
Bardow, André

[Conference Presentation]
Reducing dimensionality in multi-objective LCA-based optimization of energy systems - The impact normalization variants and weighting factors
28. International Conference on Efficiency, Cost, Optimization, Simulation, and Environmental Impact of Energy System Pau 2015-06-29 - 2015-07-03, 2015

Postels, Sarah
von der Aßen, Niklas Vincenz
Voll, Philip
Bardow, André

[Conference Presentation]
Das Infrarot-Large-Temperature-Jump-Verfahren (IR-LTJ) zur Identifikation von Wärme- und Stofftransport in Adsorptionswärmepumpen
VDI-Thermodynamik-Kolloquium 2015 Bochum 2015-10-05 - 2015-10-07, 2015

Graf, Stefan Wilhelm
Becker, Daniel
Ackermann, Jan
Lanzerath, Franz
Bardow, André

[Contribution to a book, Contribution to a conference proceedings]
Heat and mass transfer mechanism in adsoprtion heat pumps : Experiment and dynamic modeling
IX Conference "Minsk International Seminar "Heat Pipes, Heat Pumps, Refrigerators, Power Sources", September 07-10, 2015, 2015

Graf, Stefan Wilhelm
Becker, Daniel
Ackermann, Jan
Lanzerath, Franz
Bardow, André

[Conference Presentation]
Carbon Dioxide Utilization in the Polyurethane Supply Chain: An Environmental Perspective
2015 AlChE Annual Meeting Salt Lake City 2015-11-08 - 2015-11-13, 2015

Müller, Leonard Jan
von der Aßen, Niklas Vincenz
Sternberg, André Dirk
Kätelhön, Arne
Bardow, André

[Conference Presentation]
Adsorptionsgestützte Kühlung unter 0°C mit Ethylenglykol-Wasser Gemischen
Thermodynamik-Kolloquium 2015 Bochum 2015-10-05 - 2015-10-07, 2015

Seiler, Jan Michael
Hackmann, Jonas
Lanzerath, Franz
Bardow, André

[Journal Article]
Mixture-Formation Analysis by PLIF in an HSDI Diesel Engine Using C8 -Oxygenates as the Fuel
SAE International journal of fuels and lubricants, 8 (2), 396-414, 2015
[DOI: 10.4271/2015-01-0960]

Hülser, Thomas (Corresponding author)
Klein, Daniel
Heuser, Benedikt
Brands, Thorsten
Schulz, Christian
et al.

[Contribution to a book, Contribution to a conference proceedings]
Integrated Design of Working Fluid Mixtures and Organic Rankine Cycles (ORC) in the Continuous-Molecular Targeting (CoMT) Framework
[3rd International Seminar on ORC Power Systems, ASME ORC 2015, 12.10.2015-14.10.2015, Brussels, Belgium / Editors: V. Lemort, S. Quoilin, M. De Paepe and M. van den Broek], 76, 1-9, 2015

Lampe, Matthias
Edel, Peter
Schilling, Johannes
Gross, Joachim
Bardow, André (Corresponding author)

[Conference Presentation]
Adaptive Discretization of Nonlinear Optimization Models for Energy Supply Systems
22. International Symposium on Mathematical Programming Pittsburgh 2015-07-12 - 2015-07-17, 2015

Goderbauer, Sebastian (Corresponding author)
Bahl, Björn
Voll, Philip
Lübbecke, Marco
Bardow, André
et al.

[Book, Dissertation / PhD Thesis]
From life-cycle assessment towards life-cycle design of carbon dioxide capture and utilization
Aachener Beiträge zur Technischen Thermodynamik 6, 2015

von der Assen, Niklas

[Contribution to a book, Journal Article]
Effizienz - Die unvergessene nachhaltige Energiequelle : Energieeinsparungen und ihre Rebound-Effekte
RWTH-Themen, 2015 (1), 22-26, 2015
[DOI: 10.18154/RWTH-CONV-092840]

Bardow, André
Majewski, Dinah Elena
Madlener, Reinhard
Monti, Antonello
Müller, Dirk
et al.

[Journal Article]
RESCUE - Reduction of MRI SNR Degradation by Using an MR-Synchronous Low-Interference PET Acquisition Technique
IEEE transactions on nuclear science, 62 (3), 634-643, 2015
[DOI: 10.1109/TNS.2015.2434851]

Gebhardt, Pierre (Corresponding author)
Wehner, Jakob
Weissler, Bjoern
Frach, Thomas
Marsden, Paul K.
et al.

[Journal Article]
Optical Investigation of Biofuel Effects on NO and PAH Formation in Diesel-Like Jets
SAE Technical Paper, 2015-24-2485, 15 Seiten, 2015
[DOI: 10.4271/2015-24-2485]

Ottenwälder, Tamara Sophia
Raffius, Thomas Michael
Schulz, Christian
Adomeit, Philipp
Grünefeld, Gerd
et al.

[Journal Article]
Efficient yet accurate approximations for ab initio calculations of alcohol cluster thermochemistry
The journal of chemical physics, 143 (21), 214306, 2015
[DOI: 10.1063/1.4936406]

Umer, Muhammad
Kopp, Wassja Alexander
Leonhard, Kai (Corresponding author)

[Contribution to a book, Contribution to a conference proceedings]
Multi-objective optimization of dynamic systems combining genetic algorithms and Modelica : Application to adsorption air-conditioning systems
Proceedings of the 11th International Modelica Conference, Versailles, France, September 21-23, 2015 / editors: Prof. Peter Fritzson and Dr. Hilding Elmqvist, 777-784, 2015
[DOI: 10.3384/ecp15118]

Bau, Uwe
Neitzke, Daniel
Lanzerath, Franz
Bardow, André (Corresponding author)

[Journal Article]
Superstructure-free synthesis and optimization of thermal power plants
Energy, 91, 700-711, 2015
[DOI: 10.1016/j.energy.2015.08.068]

Wang, Ligang
Voll, Philip
Lampe, Matthias
Yang, Yongping (Corresponding author)
Bardow, André (Corresponding author)

[Conference Presentation]
Decentralized Energy Supply Systems : An Adaptive Discretization Approach
International Conference on Operations Research 2015 Vienna 2015-09-01 - 2015-09-04, 2015

Goderbauer, Sebastian
Koster, Arie Marinus
Lübbecke, Marco
Bahl, Björn
Bardow, André
et al.

[Contribution to a conference proceedings]
Adsorption-based air-conditioning for battery-driven electric busses
[The 24th IIR International Congress of Refrigeration (ICR2015); Yokohama, Japan; August 16-22, 2015], 2015

Bau, Uwe
Schreiber, Heike
Lanzerath, Franz
Bardow, André

[Contribution to a conference proceedings]
Adsorption-based low temperature refrigeration using water - ethylene glycol mixtures
ICR2015 : improving quality of life, preserving the Earth / The 24th IIR International Congress of Refrigeration, August 16 - 22, 2015, Yokohama, Japan, 2015

Seiler, Jan Michael
Hackmann, Jonas
Lanzerath, Franz
Bardow, André

[Contribution to a book, Contribution to a conference proceedings]
Optimal Dynamic Operation of Adsorption-based Energy Systems Driven by Fluctuating Renewable Energy
12th International Symposium on Process Systems Engineering and 25th European Symposium on Computer Aided Process Engineering / ed. by Krist V. Gernaey ..., 2339-2344, 2015
[DOI: 10.1016/B978-0-444-63576-1.50084-4]

Bau, Uwe
Braatz, Anna-Lena
Lanzerath, Franz
Herty, Michael
Bardow, André (Corresponding author)

[Contribution to a book, Contribution to a conference proceedings]
Life-Cycle Assessment Principles for the Integrated Product and Process Design of Polymers from CO2
12th International Symposium on Process Systems Engineering and 25th European Symposium on Computer Aided Process Engineering / ed. by Krist V. Gernaey ... - Pt. B, 1235-1240, 2015
[DOI: 10.1016/B978-0-444-63577-8.50051-6]

von der Aßen, Niklas Vincenz
Lampe, Matthias
Müller, Leonard Jan
Bardow, André (Corresponding author)

[Contribution to a conference proceedings, Journal Article]
Computer-aided molecular design in the continuous-molecular targeting framework using group-contribution PC-SAFT
Computers & chemical engineering, 81 (SI), 278-287, 2015
[DOI: 10.1016/j.compchemeng.2015.04.008]

Lampe, Matthias
Stavrou, Marina
Schilling, Johannes
Sauer, Elmar
Gross, Joachim
et al.

[Conference Presentation]
Spray breakup and mixture formation of novel biofuels
3. TMFB International Conference Aachen 2015-06-23 - 2015-06-25, 2015

Deshmukh, Abhishek Yashwant
Bode, M.
Pitsch, Heinz
Kirsch, Valeri
Reddemann, Manuel Armin
et al.

[Journal Article]
Industry-Cost-Curve Approach for Modeling the Environmental Impact of Introducing New Technologies in Life Cycle Assessment
Environmental science & technology, 49 (13), 7543-7551, 2015
[DOI: 10.1021/es5056512]

Kätelhön, Arne
von der Aßen, Niklas Vincenz
Suh, Sangwon
Jung, Johannes
Bardow, André (Corresponding author)

[Journal Article]
Adsorption thermal energy storage for cogeneration in industrial batch processes : Experiment, dynamic modeling and system analysis
Applied thermal engineering, 89, 485-493, 2015
[DOI: 10.1016/j.applthermaleng.2015.06.016]

Schreiber, Heike
Graf, Stefan Wilhelm
Lanzerath, Franz
Bardow, André (Corresponding author)

[Dissertation / PhD Thesis]
Molecular phenomena in dynamic wetting: superspreading and precursors, 2015

Isele-Holder, Rolf Erwin

[Journal Article]
Automated Discovery of Reaction Pathways, Rate Constants, and Transition States Using Reactive Molecular Dynamics Simulations
Journal of chemical theory and computation, 11 (6), 2517-2524, 2015
[DOI: 10.1021/acs.jctc.5b00201]

Döntgen, Malte
Przybylski-Freund, Marie-Dominique
Kröger, Leif Christian
Kopp, Wassja Alexander
Ismail, Ahmed E.
et al.

[Journal Article]
Environmental potential of carbon dioxide utilization in the polyurethane supply chain
Faraday discussions, 183, 291-307, 2015
[DOI: 10.1039/C5FD00067J]

von der Aßen, Niklas Vincenz
Sternberg, André Dirk
Kätelhön, Arne
Bardow, André (Corresponding author)

[Contribution to a book, Contribution to a conference proceedings]
CO2 vs Biomass : Identification of Environmentally Beneficial Processes for Platform Chemicals from Renewable Carbon Sources
12th International Symposium on Process Systems Engineering and 25th European Symposium on Computer Aided Process Engineering / ed. by Krist V. Gernaey ... - Pt. B, 1361-1366, 2015
[DOI: 10.1016/B978-0-444-63577-8.50072-3]

Sternberg, André Dirk
Teichgräber, Holger
Voll, Philip
Bardow, André (Corresponding author)

[Poster]
Update of key reactions in the low-temperature oxidation chemistry of dimethyl ether andanalytic ignition delay times
7. European Combustion Meeting Budapest 2015-03-30 - 2015-04-02, 2015

Döntgen, Malte
Beeckmann, Joachim Lutz
Leonhard, Kai
Pitsch, Heinz
Klippenstein, Stephen J.

[Journal Article]
Density Functional Theory for Hard Particles in N Dimensions
Communications in mathematical physics, 337 (3), 1369-1395, 2015
[DOI: 10.1007/s00220-015-2333-9]

Korden, Stephan (Corresponding author)

[Journal Article]
Dynamic modelling and validation of pre-combustion CO2 absorption based on a pilot plant at the Buggenum IGCC power station
International journal of greenhouse gas control, 36, 13-26, 2015
[DOI: 10.1016/j.ijggc.2015.02.005]

Trapp, Carsten (Corresponding author)
de Servi, Carlo
Casella, Francesco
Bardow, André
Colonna, Piero (Corresponding author)

[Journal Article]
High-pressure vapor-liquid equilibria of the second generation biofuel blends (2-methylfuran+iso-octane) and (2-methyltetrahydrofuran+di-n-butyl ether) : Experiments and PCP-SAFT modeling
Fluid phase equilibria, 400, 95-102, 2015
[DOI: 10.1016/j.fluid.2015.05.002]

Liebergesell, Bastian
Kaminski, Sebastian
Pauls, C.
de Loos, Th. W.
Vlugt, T. J. H.
et al.

[Journal Article]
Control of adsorption chillers by a gradient descent method for optimal cycle time allocation
International journal of refrigeration, 56, 52-64, 2015
[DOI: 10.1016/j.ijrefrig.2015.03.026]

Bau, Uwe
Braatz, Anna-Lena
Lanzerath, Franz
Herty, Michael
Bardow, André (Corresponding author)

[Contribution to a conference proceedings, Journal Article]
Optimal design of adsorption chillers based on a validated dynamic object-oriented model
Science and technology for the built environment, 21 (3), 248-257, 2015
[DOI: 10.1080/10789669.2014.990337]

Lanzerath, Franz
Bau, Uwe
Seiler, Jan Michael
Bardow, André (Corresponding author)

[Contribution to a conference proceedings, Journal Article]
Nitric Oxide Measurements in the Core of Diesel Jets Using a Biofuel Blend
SAE International Journal of Materials and Manufacturing, 8 (2), 2015-01-0597, 2015
[DOI: 10.4271/2015-01-0597]

Schulz, Christian
Ottenwälder, Tamara Sophia
Raffius, Thomas Michael
Brands, Thorsten
Hülser, Thomas
et al.

[Journal Article]
COSMO-3D : Incorporating Three-Dimensional Contact Information into the COSMO-SAC Model
Industrial & engineering chemistry research, 54 (7), 2214-2226, 2015
[DOI: 10.1021/ie504285x]

Gutiérrez-Sevillano, J. J.
Leonhard, Kai
van der Eerden, J. P. J. M.
Vlugt, T. J. H.
Krooshof, Gerard J. P. (Corresponding author)

[Journal Article]
The optimum is not enough : A near-optimal solution paradigm for energy systems synthesis
Energy, 82, 446-456, 2015
[DOI: 10.1016/j.energy.2015.01.055]

Voll, Philip
Jennings, Mark
Hennen, Maike Renate
Shah, Nilay
Bardow, André (Corresponding author)

[Journal Article]
Cononsolvency of mono- and di-alkyl N-substituted poly(acrylamide)s and poly(vinyl caprolactam)
Polymer, 62 (7), 50-59, 2015
[DOI: 10.1016/j.polymer.2015.02.007]

Scherzinger, C.
Balaceanu, A.
Hofmann, C. H. (Corresponding author)
Schwarz, Annett
Leonhard, Kai
et al.

[Journal Article]
Power-to-What? : Environmental assessment of energy storage systems
Energy & environmental science, 2015 (8), 389-400, 2015
[DOI: 10.1039/C4EE03051F]

Sternberg, André Dirk
Bardow, André (Corresponding author)

[Journal Article]
Optical investigation of fuel and in-cylinder air-swirl effects in a high-speed direct-injection engine
International journal of engine research, 16 (6), 716-737, 2014
[DOI: 10.1177/1468087414546503]

Hülser, Thomas (Corresponding author)
Jakob, Markus
Grünefeld, Gerd
Adomeit, Philipp
Pischinger, Stefan
et al.

[Poster]
Life cycle assessment of CO2-based polymers
ProcessNet-Jahrestagung 2014 Aachen 2014-09-30 - 2014-10-02, 2014

Kätelhön, Arne
von der Aßen, Niklas Vincenz
Bardow, André

[Poster]
SAFT Modeling of high pressure vapor-liquid equilibria with a semi-predictive perturbed chain polar statistical associating fluid theory
SAFT 2014 Tróia 2014-04-22 - 2014-04-24, 2014