[Conference Presentation]
Characterizing Kinetics of MOFs for Adsorption Cooling: IR-LTJ Experiments of Al-Fumarateand CAU-10(Al)-H
In: 4. European Conference on Metal Organic Frameworks and Porous Polymers online 2021-09-10 - 2021-09-15, 2021

Henninger, Matthias Roland Wolfgang
Rustam, Lina
Ernst, Sebastian-Johannes
Velte, Andreas
Seiler, Jan Michael
et al.

[Contribution to a conference proceedings]
Exploring the Reaction Network of 1, 3-Dioxolane-Hydroperoxide Radical Low-Temperature Oxidation with a Novel Molecular Dynamics Acceleration Technique
In: 10th European Combustion Meeting : April 14-15, 2021, virtual edition : proceedings volume / local organizing committee: Fabrizio Scala [und 20 weitere], 148-152, 2021

Krep, Lukas
Huang, Can
Kopp, Wassja Alexander
Leonhard, Kai (Corresponding author)

[Contribution to a conference proceedings]
Analysis of recrossing in molecular dynamics simulations from energy fluctuations
In: 10th European Combustion Meeting : April 14-15, 2021, virtual edition : proceedings volume / local organizing committee: Fabrizio Scala [und 20 weitere], 92-96, 2021

Kopp, Wassja Alexander
Schmalz, Felix
Krep, Lukas
Dietze, Patrick
Leonhard, Kai (Corresponding author)

[Contribution to a conference proceedings]
Reaction Kinetics for low-temperature oxidation of 1,3-dioxolane
In: 10th European Combustion Meeting : April 14-15, 2021, virtual edition : proceedings volume / local organizing committee: Fabrizio Scala [und 20 weitere], 210-213, 2021

Roy, Indu Sekhar
Huang, Can
Leonhard, Kai (Corresponding author)

[Journal Article]
Coupled Anharmonic Thermochemistry from Stratified Monte Carlo Integration
In: Journal of chemical information and modeling, 61 (12), 5853-5870, 2021
[DOI: 10.1021/acs.jcim.1c00668]

Rath, Gabriel (Corresponding author)
Kopp, Wassja Alexander
Leonhard, Kai

[Journal Article]
The impact of top-quark modelling on the exclusion limits in tt¯tt¯+DM searches at the LHC
In: The European physical journal / C, 81 (11), 1029, 2021
[DOI: 10.1140/epjc/s10052-021-09831-0]

Hermann, Julian
Worek, Malgorzata (Corresponding author)

[Contribution to a book, Journal Article]
Designed to Be Green, Economic, and Efficient : A Ketone-Ester-Alcohol-Alkane Blend for Future Spark-Ignition Engines
In: ChemSusChem, 14 (23), 5254-5264, 2021
[DOI: 10.1002/cssc.202101704]

Ackermann, Philipp
Braun, Karsten E.
Burkardt, Patrick
Heger, Sebastian
König, Andrea
et al.

[Journal Article]
A Comprehensive Experimental and Kinetic Modeling Study of the Combustion Chemistry of Diethoxymethane
In: Energy & fuels, 35 (19), 16086-16100, 2021
[DOI: 10.1021/acs.energyfuels.1c01988]

Jacobs, Sascha
Döntgen, Malte
Alquaity, Awad B. S.
Hesse, Raik
Kruse, Stephan
et al.

[Conference Presentation]
Completely Non-Invasive pH-Monitoring in Bioprocesses using Good’s Buffers and Raman Spectroscopy
In: 5. European Conference on Process Analytics and Control Technology online 2021-11-15 - 2021-11-17, 2021

Müller, David Heinrich
Flake, Carsten
Bahr, Leo Alexander
Brands, Thorsten
Koß, Hans-Jürgen

[Journal Article]
Corrigendum to "Decarbonizing copper production by power-to-hydrogen: A techno-economic analysis" [J. Clean. Prod. 306 (2021) 127191]
In: Journal of cleaner production, 322, 129144, 2021
[DOI: 10.1016/j.jclepro.2021.129144]

Röben, Fritz T. C.
Schöne, Nikolas
Bau, Uwe
Reuter, Markus A.
Dahmen, Manuel
et al.

[Journal Article]
Is electrochemical CO$_{2}$ reduction the future technology for power-to-chemicals? An environmental comparison with H$_{2}$-based pathways
In: Sustainable energy & fuels, 5 (22), 5748-5761, 2021
[DOI: 10.1039/D1SE00975C]

Wyndorps, Jan
Ostovari, Hesam
von der Aßen, Niklas Vincenz (Corresponding author)

[Journal Article]
Achieving net-zero greenhouse gas emission plastics by a circular carbon economy
In: Science, 374 (6563), 71-76, 2021
[DOI: 10.1126/science.abg9853]

Meys, Raoul (Corresponding author)
Kätelhön, Arne
Bachmann, Marvin
Winter, Benedikt
Zibunas, Christian
et al.

[Book, Dissertation / PhD Thesis]
Prediction of reaction rate constants for the synthesis of microgels
In: Aachener Beiträge zur technischen Thermodynamik 33, 2021

Kröger, Leif Christian

[Journal Article]
Formation of Substituted Alkyls as Precursors of Peroxy Radicals with a Rapid H-Shift in the Atmosphere
In: The journal of physical chemistry letters, 12 (36), 8790-8797, 2021
[DOI: 10.1021/acs.jpclett.1c02503]

Wu, Xiaoqing
Huang, Can
Chai, Jiajue
Zhang, Feng (Corresponding author)

[Journal Article]
Method for Automatic Generation of Indirect Hard Models using crossvalidation (MAGIC) for the spectral analysis of mixture spectra
In: Chemometrics and intelligent laboratory systems, 217, 104419, 2021
[DOI: 10.1016/j.chemolab.2021.104419]

Wöhl, Justus
Meltzow, F.
Koß, Hans-Jürgen (Corresponding author)

[Journal Article]
Exploring the fuel structure dependence of laminar burning velocity : A machine learning based group contribution approach
In: Combustion and flame, 232, 111525, 2021
[DOI: 10.1016/j.combustflame.2021.111525]

vom Lehn, Florian Alexander (Corresponding author)
Cai, Liming
Copa Cáceres, Bruno
Pitsch, Heinz

[Conference Presentation]
Adaptive Rolling Horizon for operational optimization of multi-energy systems
In: 34r. International Conference On Efficiency, Cost, Optimization, Simulation and Environmental Impact of Energy Systems Taormina 2021-06-27 - 2021-07-02, 2021

Kämper, Andreas
Geers, Philipp
Leenders, Ludger
Bardow, André

[Conference Presentation]
HENDling: Simultaneous Heat Exchanger Network Design and Scheduling for Batch Processes
In: 34r. International Conference On Efficiency, Cost, Optimization, Simulation and Environmental Impact of Energy Systems Taormina 2021-06-27 - 2021-07-02, 2021

Hagedorn, Dörthe Franzisca
Balhorn, Lukas Schulze
Seele, Hagen
Kämper, Andreas
von der Aßen, Niklas Vincenz

[Journal Article]
AutoMoG 3D : Automated Data-Driven Model Generation of Multi-Energy Systems Using Hinging Hyperplanes
In: Frontiers in energy research, 9, 719658, 2021
[DOI: 10.3389/fenrg.2021.719658]

Kämper, Andreas (Corresponding author)
Holtwerth, Alexander
Leenders, Ludger
Bardow, André (Corresponding author)

[Poster]
Fuel design by combined machine learning and predictive thermodynamics
In: 9. Internationale Konferenz - Fuel Science- From Production to Propulsion Aachen digital 2021-06-22 - 2021-06-24, 2021

Fleitmann, Lorenz Heinrich Johannes
Ackermann, Philipp
Rittig, Jan Gerald
Schweidtmann, Artur M.
König, Andrea
et al.

[Poster]
Fuel design by combined machine learning and predictive thermodynamics
In: Fuel Science - From Production to Propulsion Aachen digital 2021-06-22 - 2021-06-24, 2021

Fleitmann, Lorenz Heinrich Johannes
Ackermann, Philipp
Rittig, Jan Gerald
Schweidtmann, Artur M.
König, Andrea
et al.

[Conference Presentation]
Design and Multi-Disciplinary Assessment of a New FSC Blend for Ultra-High Efficiency Engines
In: Fuel Science - From Production to Propulsion Aachen digital 2021-06-22 - 2021-06-24, 2021

Dahmen, Manuel
Burkhardt, Patrick
Ackermann, Philipp
Braun, Karsten E.
Heger, Sebastian
et al.

[Poster]
Expanding the scope of computer-aided molecular and process design
In: 9. International Conference Fuel Science - From Production to Propulsion online 2021-06-22 - 2021-06-24, 2021

Hermann, Julian
Raßpe-Lange, Lukas
Kaminski, Sebastian
Leonhard, Kai

[Journal Article]
CAT-COSMO-CAMPD : Integrated in silico design of catalysts and processes based on quantum chemistry
In: Computers & chemical engineering : CACE, 153, 107438, 2021
[DOI: 10.1016/j.compchemeng.2021.107438]

Gertig, Christoph Udo
Fleitmann, Lorenz Heinrich Johannes
Hemprich, Carl
Hense, Janik
Bardow, André (Corresponding author)
et al.

[Conference Presentation]
Toward carbon-neutral cement industry via CO2 mineralization
In: 18. International Conference on Carbon Dioxide Utilization online 2021-07-20 - 2021-07-20, 2021

Ostovari, Hesam
Müller, Leonard Jan
Skocek, Jan
Bardow, André

[Journal Article]
An insight into the reaction kinetics of CH3 + O2(a1Δg) and its enhancement effect on methane ignition
In: Proceedings of the Combustion Institute, 38 (1), 691-698, 2020
[DOI: 10.1016/j.proci.2020.07.121]

Zhang, Feng (Corresponding author)
Huang, Can
Wu, Xiaoqing
Xie, Binbin
Shen, Lin

[Journal Article]
Combined experimental and theoretical study on photoionization cross sections of benzonitrile and o/m/p-cyanotoluene
In: The journal of chemical physics, 154 (24), 244301, 2021
[DOI: 10.1063/5.0053119]

Huang, Jiabin
Huang, Can
Wu, Xiaoqing
Hou, Qifeng
Tian, Guangjun
et al.

[Journal Article]
Comparing pathways for electricity-based production of dimethoxymethane as a sustainable fuel
In: Energy & environmental science (7), 3686-3699, 2021
[DOI: 10.1039/D1EE00689D]

Burre, Jannik
Bongartz, Dominik
Deutz, Sarah
Asmelash, Chalachew Mebrahtu
Osterthun, Ole
et al.

[Report]
Industriewärme klimaneutral: Strategien und Voraussetzungen für die Transformation, 2021

Begemann, Tania
Budt, Marcus
Glasner, Christoph
Herrig, Stefan
Reinert, Christiane
et al.

[Poster]
Systematic testing of highly reduced mechanisms for high-temperature ignition
In: 38. International Symposium on Combustion online 2021-01-24 - 2021-01-29, 2021

Kopp, Wassja Alexander
Niessen, Oliver
Minwegen, Heiko Julian
Beeckmann, Joachim
Pitsch, Heinz
et al.

[Poster]
Anharmonicity in Hydrogen Abstraction by HO2
In: 10. European Combustion Meeting online 2021-04-14 - 2021-04-15, 2021

Niessen, Oliver
Kopp, Wassja Alexander
Minwegen, Heiko Julian
Beeckmann, Joachim
Leonhard, Kai

[Journal Article]
Environmental impacts of the future German energy system from integrated energy systems optimization and dynamic life cycle assessment
In: Computers & chemical engineering, 153, 107406, 2021
[DOI: 10.1016/j.compchemeng.2021.107406]

Reinert, Christiane
Deutz, Sarah
Minten, Hannah
Dörpinghaus, Lukas
von Pfingsten, Sarah
et al.

[Conference Presentation]
New insights in the combustion behavior of 1,3-Dioxolane
In: 9. International Conference "Fuel Science - From Production to Propulsion" online 2021-06-22 - 2021-06-24, 2021

Heufer, Karl Alexander
Wildenberg, Alina
Döntgen, Malte
Roy, Indu Sekhar
Hellmuth, Maximilian Alexander
et al.

[Contribution to a book, Contribution to a conference proceedings]
Flexibility-expansion planning for enhanced balancing-power market participation of decentralized energy systems
In: 31th European Symposium on Computer Aided Process Engineering : ESCAPE-31 / edited by Metin Türkay and Rafiqul Gani, 1841-1846, 2021
[DOI: 10.1016/B978-0-323-88506-5.50285-0]

Nolzen, Niklas
Leenders, Ludger
Bardow, André (Corresponding author)

[Contribution to a book, Contribution to a conference proceedings]
Optimal physical property data for process simulations by optimal experimental design
In: 31th European Symposium on Computer Aided Process Engineering : ESCAPE-31 / edited by Metin Türkay and Rafiqul Gani, 851-857, 2021
[DOI: 10.1016/B978-0-323-88506-5.50133-9]

Fleitmann, Lorenz Heinrich Johannes
Pyschik, Jan
Wolff, Ludger Wolfgang Michael
Bardow, André (Corresponding author)

[Contribution to a book, Contribution to a conference proceedings]
Tailor-made solvents by integrated design of molecules and CO2 absorption processes
In: 31th European Symposium on Computer Aided Process Engineering : ESCAPE-31 / edited by Metin Türkay and Rafiqul Gani, 197-202, 2021
[DOI: 10.1016/B978-0-323-88506-5.50032-2]

Schilling, Johannes
Hopp, Madlen
Gross, Joachim
Bardow, André (Corresponding author)

[Conference Presentation]
Well-to-Wheel Life Cycle Assessment of Blending OME3-5 With Fossil Diesel
In: 9. International Conference on Fuel Science Aachen 2021-07-22 - 2021-07-24, 2021

Völker, Simon
Deutz, Sarah
Burre, Jannik
Bongartz, Dominik
Omari, Ahmad
et al.

[Journal Article]
Decarbonizing copper production by power-to-hydrogen : A techno-economic analysis
In: Journal of cleaner production, 306, 127191, 2021
[DOI: 10.1016/j.jclepro.2021.127191]

Röben, Fritz T. C.
Schöne, Nikolas
Bau, Uwe
Reuter, Markus A.
Dahmen, Manuel
et al.

[Journal Article]
Experimental and theoretical investigation of the combustion characteristics of di-tert-butyl peroxide
In: Proceedings of the Combustion Institute, 38 (1), 469-477, 2020
[DOI: 10.1016/j.proci.2020.06.292]

Preußker, Matthias (Corresponding author)
Döntgen, Malte
Firaha, D.
Leonhard, Kai
Heufer, Karl Alexander

[Journal Article]
COSMO-susCAMPD : Sustainable Solvents from Combining Computer-Aided Molecular and Process Design with Predictive Life Cycle Assessment
In: Chemical engineering science, 116863, 2021
[DOI: 10.1016/j.ces.2021.116863]

Fleitmann, Lorenz Heinrich Johannes (Corresponding author)
Kleinekorte, Johanna
Leonhard, Kai
Bardow, André

[Conference Presentation]
A novel optode for non-invasive pH monitoring in bioprocesses:pH-assessment based on Good’s buffers and Raman spectroscopy
In: ACHEMA Pulse 2021 Frankfurt 2021-06-15 - 2021-06-16, 2021

Müller, David Heinrich
Flake, Carsten
Bahr, Leo Alexander
Brands, Thorsten
Koß, Hans-Jürgen

[Poster]
Spectrally and spatially resolved line imaging combined with double 2D luminescence imaging in RCCI-like combustion of bio-hybrid fuels on a high-pressure chamber
In: 9. International Conference Fuel Science - From Production to Propulsion online 2021-06-22 - 2021-06-24, 2021

Dewor, Raphael
Fleischmann, Maximilian
Brands, Thorsten
Koß, Hans-Jürgen
Pischinger, Stefan

[Journal Article]
Scheduling coordination of multiple production and utility systems in a multi-leader multi-follower Stackelberg game
In: Computers & chemical engineering : CACE, 150, 107321, 2021
[DOI: 10.1016/j.compchemeng.2021.107321]

Leenders, Ludger
Ganz, Kirstin
Bahl, Björn
Hennen, Maike Renate
Baumgärtner, Nils Julius
et al.

[Journal Article]
Molecular mechanisms by which tetrahydrofuran affects CO2 hydrate Growth : Implications for carbon storage
In: The chemical engineering journal, 418, 129423, 2021
[DOI: 10.1016/j.cej.2021.129423]

Phan, Anh
Schlösser, Henrik
Striolo, Alberto (Corresponding author)

[Book, Dissertation / PhD Thesis]
Debottlenecking the evaporator in water-based adsorption chillers
In: Aachener Beiträge zur Technischen Thermodynamik 32, 2021
[DOI: 10.18154/RWTH-2021-04928]

Seiler, Jan Michael

[Conference Presentation]
CO2 mineralization for carbon-neutral cement industry
In: International Conference on Accelerated Carbonation for Environmental and Material Engineering 2021-05-16 - 2021-05-19, 2021

Ostovari, Hesam
Müller, Leonard Jan
Skocek, Jan
Bardow, André

[Journal Article]
Distribution and toxicity of persistent organic pollutants and methoxylated polybrominated diphenylethers in different tissues of the green turtle Chelonia mydas
In: Environmental pollution, 277, 116795, 2021
[DOI: 10.1016/j.envpol.2021.116795]

Weltmeyer, Antonia
Dogruer, Gülsah
Hollert, Henner
Ouellet, Jacob D.
Townsend, Kathy
et al.

[Journal Article]
Life-Cycle Assessment of Sector-Coupled National Energy Systems : Environmental Impacts of Electricity, Heat, and Transportation in Germany Till 2050
In: Frontiers in energy research, 9, 621502, 2021
[DOI: 10.3389/fenrg.2021.621502]

Baumgärtner, Nils Julius
Deutz, Sarah
Reinert, Christiane
Nolzen, Niklas
Kuepper, Lucas Elias
et al.

[Contribution to a book, Contribution to a conference proceedings]
Renewable carbon feedstock for polymers : environmental benefits from synergistic use of biomass and CO$_{2}$
In: Carbon dioxide utilisation : Online virtual event, 7-9 April 2021 / scientific committee: chair Peter Styring [und 5 weitere], 227-246, 2021
[DOI: 10.1039/d0fd00134a]

Bachmann, Marvin
Kätelhön, Arne
Winter, Benedikt
Meys, Raoul
Müller, Leonard Jan
et al.

[Contribution to a book, Contribution to a conference proceedings]
Predictive Life Cycle Assessment with Limited Training Data : Artificial Neural Networks Vs. Gaussian Process Regression
In: 2020 Virtual AIChE Annual Meeting proceedings, 2021

Kleinekorte, Johanna
Beckert, Verena
Fleitmann, Lorenz Heinrich Johannes
Kröger, Leif Christian
Leonhard, Kai
et al.