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

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

[Fachzeitschriftenartikel]
Bioprocess in‐line monitoring using Raman spectroscopy and Indirect Hard Modeling (IHM): A simple calibration yields a robust model
Biotechnology and Bioengineering, 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.

[Konferenzbeitrag]
Optimal Data-driven Design Decisions for Industrial Energy System Transformation: SecMOD 4DecIdE
2nd 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

[Konferenzbeitrag]
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.

[Fachzeitschriftenartikel]
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

[Fachzeitschriftenartikel]
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)

[Fachzeitschriftenartikel]
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)

[Fachzeitschriftenartikel]
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.

[Fachzeitschriftenartikel]
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.

[Fachzeitschriftenartikel]
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)

[Fachzeitschriftenartikel]
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

[Fachzeitschriftenartikel]
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, 277, 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)

[Fachzeitschriftenartikel]
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)

[Beitrag zu einem Tagungsband]
Decarbonization potential of the glass melting process via energy efficiency measures and fuel switching
13. Internationale Energiewirtschaftstagung Wien 2023-02-15 - 2023-02-17, 2023

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

[Fachzeitschriftenartikel]
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)

[Fachzeitschriftenartikel]
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.

[Buch, Doktorarbeit]
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

[Beitrag zu einem Tagungsband, Fachzeitschriftenartikel]
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.

[Buchbeitrag, Fachzeitschriftenartikel]
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 A.
Leonhard, Kai (Corresponding author)
et al.

[Fachzeitschriftenartikel]
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)