[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.