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

[Journal Article]
The first HyDRA challenge for computational vibrational spectroscopy
In: 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
In: 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
In: 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
In: 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
In: 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
In: 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
In: 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
In: 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
In: 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
In: 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
In: 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
In: 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
In: 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
In: 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
In: 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
In: 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
In: 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
In: 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
In: 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
In: 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
In: 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
In: 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
In: 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
In: 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
In: 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
In: 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
In: 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
In: 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
In: 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
In: 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
In: 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
In: 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
In: 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
In: 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
In: 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
In: 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
In: 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
In: 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
In: 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
In: [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)