[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
In: 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
In: 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
In: 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
In: 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
In: 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
In: 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
In: Proceedings of the Combustion Institute, S1540748922000451, 2022
[DOI: 10.1016/j.proci.2022.07.019]

Chen, Bingjie
Liu, Peng
Pelucchi, Matteo
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
In: 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
In: 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
In: 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
In: 3rd 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
In: 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
In: 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
In: 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
In: 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
In: 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
In: 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
In: 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
In: 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
In: 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
In: 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
In: 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
In: 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
In: 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
In: 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
In: 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
In: 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
In: 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
In: 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
In: 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
In: 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
In: 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
In: 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
In: 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
In: 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
In: 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)
In: 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
In: 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
In: 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
In: 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
In: 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
In: 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
In: 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
In: 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
In: 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
In: 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
In: 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
In: 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
In: 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.