[Poster]
Reaction Kinetics for low-temperature oxidation of 1,3-dioxolane
In: 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
In: 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
In: 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
In: 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
In: 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
In: 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
In: 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)
In: 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
In: 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
In: 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
In: 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
In: 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
In: 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
In: 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
In: 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
In: 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
In: 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
In: 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
In: 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
In: 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
In: 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
In: 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
In: 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
In: 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
In: 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
In: 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
In: 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
In: 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
In: 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
In: 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
In: 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
In: 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
In: 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
In: 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
In: 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
In: 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
In: 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
In: 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
In: [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
In: 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
In: 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
In: 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
In: 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
In: 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
In: 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
In: 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
In: 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
In: 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
In: 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)