Person

Dr.-Ing.

Wassja Kopp

Modellierung und Design molekularer Systeme

Kopp, Wassja Urheberrecht: © Lehrstuhl fuer Technische Thermodynamik der RWTH Aachen
Lehrstuhl für Technische Thermodynamik und Institut für Thermodynamik

Adresse

Gebäude: 1300

Raum: 216

Schinkelstraße 8

52062 Aachen

Kontakt

WorkPhone
Telefon: +49 241 80 93492
 

Publikationen

Quelle Autor(en)
[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.
[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
[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]
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]
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)
[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.
[Buchbeitrag, Fachzeitschriftenartikel]
A Reactive Molecular Dynamics Study of Chlorinated Organic Compounds. Part II: A ChemTraYzer Study of Chlorinated Dibenzofuran Formation and Decomposition Processes
ChemPhysChem, 24 (7), e202200783, 2022
[DOI: 10.1002/cphc.202200783]
Krep, Lukas
Schmalz, Felix
Solbach, Florian
Komissarov, Leonid
Nevolianis, Thomas
et al.
[Poster]
Exploring new reaction pathways with molecular simulations for the low-temperature chemistry of 1,3-dioxolane combustion
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.
[Fachzeitschriftenartikel]
Completely Computational Model Setup for Spectroscopic Techniques : The Ab Initio Molecular Dynamics Indirect Hard Modeling Approach
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.
[Fachzeitschriftenartikel]
Efficient Reaction Space Exploration with ChemTraYzer-TAD
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.
[Dataset]
Supplementary Information for Prof Leonhard’s group submission for HyDRA challenge, 2022
[DOI: 10.18154/RWTH-2022-02243]
Viswanathan, Narasimhan
Nevolianis, Thomas
Rath, Gabriel
Kopp, Wassja Alexander
Leonhard, Kai
[Konferenzbeitrag]
Exploration von Reaktionspfaden mit dem ChemTraYzer
Thermodynamik-Kolloquium 2021 online 2021-09-27 - 2021-09-29, 2021
Huang, Can
Schmalz, Felix
Kopp, Wassja Alexander
Krep, Lukas
Leonhard, Kai
[Beitrag zu einem Tagungsband]
Exploring the Reaction Network of 1, 3-Dioxolane-Hydroperoxide Radical Low-Temperature Oxidation with a Novel Molecular Dynamics Acceleration Technique
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)
[Beitrag zu einem Tagungsband]
Analysis of recrossing in molecular dynamics simulations from energy fluctuations
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)
[Fachzeitschriftenartikel]
Coupled Anharmonic Thermochemistry from Stratified Monte Carlo Integration
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
[Poster]
Systematic testing of highly reduced mechanisms for high-temperature ignition
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
10. European Combustion Meeting online 2021-04-14 - 2021-04-15, 2021
Niessen, Oliver
Kopp, Wassja Alexander
Minwegen, Heiko Julian
Beeckmann, Joachim
Leonhard, Kai
[Poster]
Analysis of recrossing in molecular dynamics simulations from energy fluctuations
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
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
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
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.
[Fachzeitschriftenartikel]
Updated thermochemistry for renewable transportation fuels : New groups and group values for acetals and ethers, their radicals, and peroxy species
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.
[Fachzeitschriftenartikel]
Corrigendum to ``Detailed kinetic modeling of dimethoxymethane. Part I: Ab initio thermochemistry and kinetics predictions for key reactions'' [Combust. Flame (189) 433-442]
Combustion and flame, 218, 27, 2020
[DOI: 10.1016/j.combustflame.2020.03.020]
Kopp, Wassja Alexander (Corresponding author)
Kröger, Leif Christian
Döntgen, Malte
Jacobs, Sascha
Burke, Ultan
et al.
[Fachzeitschriftenartikel]
The first microsolvation step for furans : New experiments and benchmarking strategies
The journal of chemical physics, 152 (16), 164303, 2020
[DOI: 10.1063/5.0004465]
Gottschalk, Hannes C. (Corresponding author)
Poblotzki, Anja
Fatima, Mariyam
Obenchain, Daniel A.
Pérez, Cristóbal
et al.
[Fachzeitschriftenartikel]
Correcting Rate Constants from Anharmonic Molecular Dynamics for Quantum Effects
ACS omega, 5 (5), 2242-2253, 2020
[DOI: 10.1021/acsomega.9b03383]
Schmalz, Felix (Corresponding author)
Kopp, Wassja Alexander
Kröger, Leif Christian
Leonhard, Kai
[Fachzeitschriftenartikel]
Exploring the Chemistry of Low-Temperature Ignition by Pressure-Accelerated Dynamics
ChemSystemsChem : emergence & complexity, 2 (4), e1900043, 2020
[DOI: 10.1002/syst.201900043]
Krep, Lukas
Kopp, Wassja Alexander
Kröger, Leif Christian
Döntgen, Malte
Leonhard, Kai (Corresponding author)
[Bachelorarbeit]
Isomerization and beta-scission of ethyl propionate radicals, 2019
[DOI: 10.18154/RWTH-2021-09171]
Al-Khatib, Mohamed
Kopp, Wassja Alexander (Consultant)
[Konferenzbeitrag]
Experimental and theoretical investigations on ethyl valerate - a bio-hybrid fuel
7. International Conference - Fuel Science: From Production to Propulsion Aachen 2019-05-13 - 2019-05-15, 2019
Morsch, Philipp (Corresponding author)
Kopp, Wassja Alexander
vom Lehn, Florian Alexander
Pitsch, Heinz
Leonhard, Kai
et al.
[Fachzeitschriftenartikel]
Detailed kinetic modeling of dimethoxymethane : Part II: Experimental and theoretical study of the kinetics and reaction mechanism
Combustion and flame, 205, 522-533, 2019
[DOI: 10.1016/j.combustflame.2018.12.026]
Jacobs, Sascha (Corresponding author)
Döntgen, Malte
Alquaity, Awad
Kopp, Wassja Alexander
Kröger, Leif Christian
et al.
[Poster]
Exploring Biofuel Low-Temperature Chemistry with a Hybrid Reactive MD/QM Scheme
9. European Combustion Meeting Lisbon 2019-04-14 - 2019-04-17, 2019
Krep, Lukas
Kopp, Wassja Alexander
Kröger, Leif Christian
Schmalz, Felix
Leonhard, Kai (Corresponding author)
[Konferenzbeitrag]
Ab-initio reaction models from hybrid reactive molecular dynamics and QM chemistry simulations
17. International Conference on Numerical Combustion Aachen 2019-05-06 - 2019-05-08, 2019
Krep, Lukas
Döntgen, Malte
Schmalz, Felix
Kopp, Wassja Alexander
Kröger, Leif Christian
et al.
[Fachzeitschriftenartikel]
Ab initio kinetics predictions for H-atom abstraction from diethoxymethane by hydrogen, methyl, and ethyl radicals and the subsequent unimolecular reactions
Proceedings of the Combustion Institute, 37 (1), 275-282, 2018
[DOI: 10.1016/j.proci.2018.06.056]
Kröger, Leif Christian
Döntgen, Malte
Firaha, Dzmitry
Kopp, Wassja Alexander
Leonhard, Kai (Corresponding author)
[Poster]
An experimental and modelling study of the combustion of dimethoxy methane
37. International Symposium on Combustion Dublin 2018-07-29 - 2018-08-03, 2018
Jacobs, Sascha
Kröger, Leif Christian
Kopp, Wassja Alexander
Döntgen, Malte
Burke, Ultan
et al.
[Poster]
An experimental and modeling study of the combustion of dimethoxy methane
37. International Symposium on Combustion Dublin 2018-07-29 - 2018-08-03, 2018
Jacobs, Sascha
Kröger, Leif Christian
Kopp, Wassja Alexander
Döntgen, Malte
Burke, U.
et al.
[Poster]
Prediction of Equilibrium Constants from Reactive Molecular Dynamics Simulations
Indo-German Symposium on Sustainable Energy Aachen 2018-11-14 - 2018-11-14, 2018
Kröger, Leif Christian
Döntgen, Malte
Kopp, Wassja Alexander
Krep, Lukas
Schmalz, Felix
et al.
[Konferenzbeitrag]
Kinetic energy operators in internal coordinates using generalized Fourier functions
Franco-German Workshop on mathematical aspects in computational chemistry Aachen 2018-09-10 - 2018-09-12, 2018
Kopp, Wassja Alexander
Malsch, Laura
Leonhard, Kai
[Doktorarbeit]
Coupled large-amplitude motions in oxygenated biofuel candidates, 2018
[DOI: 10.18154/RWTH-2018-229605]
Kopp, Wassja Alexander
[Poster]
Pressure-accelerated Dynamics - Reaktive molekulardynamische Untersuchung der Niedertemperaturverbrennung von Pentan bei hohen Drücken
Thermodynamik-Kolloquium Kassel 2018-09-26 - 2018-09-28, 2018
Krep, Lukas
Kopp, Wassja Alexander
Kröger, Leif Christian
Döntgen, Malte
Leonhard, Kai
[Fachzeitschriftenartikel]
Automated Chemical Kinetic Modeling via Hybrid Reactive Molecular Dynamics and Quantum Chemistry Simulations
Journal of chemical information and modeling, 58 (7), 1343-1355, 2018
[DOI: 10.1021/acs.jcim.8b00078]
Döntgen, Malte
Schmalz, Felix
Kopp, Wassja Alexander
Kröger, Leif Christian
Leonhard, Kai (Corresponding author)
[Konferenzbeitrag]
Combustion chemistry of diethoxymethane (DEM): experiments, theory and modeling
6. International Conference - Tailor-Made Fuels from Biomass Aachen 2018-06-19 - 2018-06-21, 2018
Kopp, Wassja Alexander (Corresponding author)
Kröger, Leif Christian
Cai, Liming
Hesse, Raik
Kruse, Stephan
et al.
[Fachzeitschriftenartikel]
The furan microsolvation blind challenge for quantum chemical methods: First steps
The journal of chemical physics, 148 (1), 1-13, 2018
[DOI: 10.1063/1.5009011]
Gottschalk, Hannes C.
Poblotzki, Anja
Suhm, Martin A.
Al-Mogren, Muneerah M.
Antony, Jens
et al.
[Fachzeitschriftenartikel]
Detailed kinetic modeling of dimethoxymethane. Part I: Ab initio thermochemistry and kinetics predictions for key reactions
Combustion and flame, 189, 433-442, 2017
[DOI: 10.1016/j.combustflame.2017.07.037]
Kopp, Wassja Alexander
Kröger, Leif Christian
Döntgen, Malte
Jacobs, Sascha
Burke, Ultan
et al.
[Poster]
Hydrogen Abstraction and Subsequent β-Scission of Dimethoxymethane
European Combustion Meeting Dubrovnik 2017-04-18 - 2017-04-21, 2017
Kröger, Leif Christian
Kopp, Wassja Alexander
Döntgen, Malte
Jacobs, Sascha
Burke, Ultan
et al.
[Konferenzbeitrag]
Ab initio reaction models from hybrid reactive molecular dynamics and quantum chemistry simulations
Jahrestreffen der ProcessNet-Fachgruppe Molekulare Modellierung Frankfurt 2017-03-08 - 2017-03-10, 2017
Döntgen, Malte
Schmalz, Felix
Przybylski-Freund, Marie-Dominique
Kopp, Wassja Alexander
Kröger, Leif Christian
et al.
[Abstract, Beitrag zu einem Tagungsband]
Assessing Statistical Uncertainties of Rare Events in Reactive Molecular Dynamics Simulations
[4th International Conference on Computational Engineering, ICCE 2017, 2017-09-28 - 2017-09-29, Darmstadt, Germany], 54-54, 2017
Kröger, Leif Christian (Corresponding author)
Kopp, Wassja Alexander
Döntgen, Malte
Firaha, Dzmitry
Leonhard, Kai (Corresponding author)
[Beitrag zu einem Tagungsband]
Bestimmung des statistischen Fehlers von seltenen Ereignissen in reaktiven molekulardynamischen Simulationen
[Thermodynamik-Kolloquium 2017, 2017-09-27 - 2017-09-29, Dresden, Germany], 2017
Kröger, Leif Christian
Kopp, Wassja Alexander
Döntgen, Malte
Leonhard, Kai (Corresponding author)
[Fachzeitschriftenartikel]
Assessing Statistical Uncertainties of Rare Events in Reactive Molecular Dynamics Simulations
Journal of chemical theory and computation : JCTC, 13 (9), 3955-3960, 2017
[DOI: 10.1021/acs.jctc.7b00524]
Kröger, Leif Christian
Kopp, Wassja Alexander
Döntgen, Malte
Leonhard, Kai (Corresponding author)
[Poster]
Fundamental investigation of the oxidation kinetics of dimethoxy methane
5. International Conference 2017 Tailor-Made Fuels - From Production to Propulsion Aachen 2017-06-20 - 2017-06-22, 2017
Jacobs, Sascha (Corresponding author)
Burke, Ultan
Kröger, Leif Christian
Kopp, Wassja Alexander
Döntgen, Malte
et al.
[Poster]
Experimental and theoretical study of the kinetics and reactions mechanism of dimethoxy methane
8. European Combustion Meeting Dubrovnik 2017-04-18 - 2017-04-21, 2017
Jacobs, Sascha (Corresponding author)
Burke, Ultan
Kröger, Leif Christian
Kopp, Wassja Alexander
Döntgen, Malte
et al.
[Poster]
Dissociation cascades of oxymethylene ethers
8. European Combustion Meeting Dubrovnik 2017-04-18 - 2017-04-21, 2017
Döntgen, Malte
Wächter, Daniel
Kröger, Leif Christian
Kopp, Wassja Alexander
Leonhard, Kai (Corresponding author)
[Poster]
Hydrogen Abstraction and Subsequent beta-Scission of Dimethoxymethane
8. European Combustion Meeting Dubrovnik 2017-04-18 - 2017-04-21, 2017
Kröger, Leif Christian
Kopp, Wassja Alexander
Döntgen, Malte
Jacobs, Sascha
Burke, Ultan
et al.
[Fachzeitschriftenartikel]
Prediction of Chain Propagation Rate Constants of Polymerization Reactions in Aqueous NIPAM/BIS and VCL/BIS Systems
The journal of physical chemistry / B, 121 (13), 2887-2895, 2017
[DOI: 10.1021/acs.jpcb.6b09147]
Kröger, Leif Christian
Kopp, Wassja Alexander
Leonhard, Kai (Corresponding author)
[Fachzeitschriftenartikel]
Ab initio kinetics predictions for H-atom abstraction from 2-butanone by H˙ and C˙H3 and the subsequent unimolecular reactions
Proceedings of the Combustion Institute, 36 (1), 203-210, 2016
[DOI: 10.1016/j.proci.2016.06.162]
Kopp, Wassja Alexander
Burke, Ultan
Döntgen, Malte
Kröger, Leif Christian
Minwegen, Heiko Julian
et al.
[Konferenzbeitrag]
A Kinetic Modeling Study of High Temperature Gamma-Valerolactone (GVL) Combustion Including Multiple Well-skipping Hot Beta-Scission
4. International Conference on Tailor-Made Fuels : From Production to Propulsion Aachen 2016-06-21 - 2016-06-23, 2016
Döntgen, Malte
Tripathi, Rupali
Minwegen, Heiko Julian
Kopp, Wassja Alexander
Sudholt, Alena
et al.
[Fachzeitschriftenartikel]
General formulation of rovibrational kinetic energy operators and matrix elements in internal bond-angle coordinates using factorized Jacobians
The journal of chemical physics, 145 (23), 234102, 2016
[DOI: 10.1063/1.4972224]
Kopp, Wassja Alexander
Leonhard, Kai (Corresponding author)
[Fachzeitschriftenartikel]
A comprehensive experimental and kinetic modeling study of butanone
Combustion and flame, 168, 296-309, 2016
[DOI: 10.1016/j.combustflame.2016.03.001]
Burke, Ultan (Corresponding author)
Beeckmann, Joachim
Kopp, Wassja Alexander
Uygun, Yasar
Olivier, Herbert
et al.
[Konferenzbeitrag]
A comprehensive experimental and modelling study of 2-butanone
3. International TMFB conference Aachen 2015-06-23 - 2015-06-25, 2015
Burke, Ultan (Corresponding author)
Heufer, Karl Alexander
Uygun, Yasar
Olivier, Herbert
Kopp, Wassja Alexander
et al.
[Poster]
Theoretical study on the beta-scission kinetics of 2-butanone (WIPP)
3. International TMFB conference = 3. Internationale Konferenz TMFB Aachen 2015-06-23 - 2015-06-25, 2015
Minwegen, Heiko Julian (Corresponding author)
Kopp, Wassja Alexander
Döntgen, Malte
Burke, Ultan
Leonhard, Kai
et al.
[Poster]
Vorhersage thermodynamischer Gleichgewichtskonstanten aus reaktiven Simulationen
Thermodynamik-Kolloquium 2015 Bochum 2015-10-05 - 2015-10-07, 2015
Döntgen, Malte
Kopp, Wassja Alexander
Przybylski-Freund, Marie-Dominique
Kröger, Leif Christian
Leonhard, Kai
[Konferenzbeitrag]
Kombination von reaktiver Molekulardynamik mit ab-initio Verfahren zur effizienten Bestimmung von Reaktionsraten
Thermodynamik-Kolloquium 2015 Bochum 2015-10-05 - 2015-10-07, 2015
Kopp, Wassja Alexander
Döntgen, Malte
Przybylski-Freund, Marie-Dominique
Leonhard, Kai
[Konferenzbeitrag]
Vorhersage thermodynamischer Gleichgewichtskonstanten aus reaktiven Simulationen
Thermodynamik-Kolloquium 2015 Bochum 2015-10-05 - 2015-10-07, 2015
Döntgen, Malte
Kopp, Wassja Alexander
Przybylski-Freund, Marie-Dominique
Kröger, Leif Christian
Leonhard, Kai
[Konferenzbeitrag]
An alternative fate of formyl: Formic acid as a combustion intermediate
International Chemical Congress of Pacific Basin Societies 2015 Honolulu, HI 2015-12-15 - 2015-12-20, 2015
Döntgen, Malte
Kopp, Wassja Alexander
Leonhard, Kai
[Konferenzbeitrag]
Determination of reaction pathways, rates and transition states using reactive molecular dynamics simulations
International Workshop on Molecular Modeling and Simulation Frankfurt am Main 2015-03-23 - 2015-03-24, 2015
Döntgen, Malte
Przybylski-Freund, Marie-Dominique
Kröger, Leif Christian
Kopp, Wassja Alexander
Ismail, Ahmed E.
et al.
[Fachzeitschriftenartikel]
Efficient yet accurate approximations for ab initio calculations of alcohol cluster thermochemistry
The journal of chemical physics, 143 (21), 214306, 2015
[DOI: 10.1063/1.4936406]
Umer, Muhammad
Kopp, Wassja Alexander
Leonhard, Kai (Corresponding author)
[Fachzeitschriftenartikel]
Automated Discovery of Reaction Pathways, Rate Constants, and Transition States Using Reactive Molecular Dynamics Simulations
Journal of chemical theory and computation, 11 (6), 2517-2524, 2015
[DOI: 10.1021/acs.jctc.5b00201]
Döntgen, Malte
Przybylski-Freund, Marie-Dominique
Kröger, Leif Christian
Kopp, Wassja Alexander
Ismail, Ahmed E.
et al.
[Konferenzbeitrag]
Experimental and kinetic investigation of n-octanol
2. International Conference of the Cluster of Excellence "Tailor-Made Fuels from Bio-mass" Aachen 2014-06-16 - 2014-06-18, 2014
Cai, L.
Kopp, Wassja Alexander
Leonhard, Kai
Sarathy, M.
[Konferenzbeitrag]
Combustion Kinetics of Di-n-butylether and 2-Methyltetrahydrofuran as Examples
1. TMFB International Conference Aachen 2013-06-18 - 2013-06-20, 2013
Sudholt, A.
Lee, C.
Kopp, Wassja Alexander
Cai, L.
Heufer, A.
et al.
[Fachzeitschriftenartikel]
An experimental and kinetic modelling study of n-butyl formate combustion
Combustion and flame, 160 (12), 2680-2692, 2013
[DOI: 10.1016/j.combustflame.2013.06.012]
Vranckx, Stijn (Corresponding author)
Beeckmann, Joachim
Kopp, Wassja Alexander
Lee, Changyoul
Cai, Liming
et al.
[Fachzeitschriftenartikel]
Hydrogen Abstraction from n-Butyl Formate by H. and HO.2
The journal of physical chemistry / A, Molecules, spectroscopy, kinetics, environment & general theory, 117 (31), 6757-6770, 2013
[DOI: 10.1021/jp4063675]
Kopp, Wassja Alexander
Langer, Raymond Tim
Döntgen, Malte
Leonhard, Kai (Corresponding author)
[Konferenzbeitrag]
An Experimental and Kinetic Modelling Study of Butyl Formate Combustion
5. TMFB International Workshop Aachen 2012-06-06 - 2012-06-14, 2012
Vranckx, S.
Lee, C.
Fernandes, R.
Uygun, Y.
Olivier, H.
et al.
[Poster]
Hydrogen Abstraction by HO2 Radicals from Tetrahydrofuran
34. International Symposium on Combustion Warsaw 2012-07-29 - 2012-08-03, 2012
Kopp, Wassja Alexander
Leonhard, Kai
[Poster]
Molecular Modeling for Fuel Design
5. TMFB International Workshop, Cluster of Excellence Tailor-Made Fuels from Biomass Aachen 2012-06-13 - 2012-06-14, 2012
Yamin, Peyman
Kopp, Wassja Alexander
Schwarz, Annett
Umer, Muhammad
Leonhard, Kai
[Konferenzbeitrag]
Modeling of Thermodynamic and Kinetic Fuel Properties
4. TMFB International Workshop Aachen 2011-05-24 - 2011-05-26, 2011
Kopp, Wassja Alexander
Leonhard, Kai
[Buchbeitrag, Beitrag zu einem Tagungsband]
Hydrogen Abstraction From N-Butyl Formate by H-Radicals
[7th Mediterranean Combustion Symposium, MCS 7, 2011-09-11 - 2011-09-15, Chia Laguna, Italy], 11 Seiten, 2011
Kopp, Wassja Alexander (Corresponding author)
Leonhard, Kai
[Fachzeitschriftenartikel]
Role of peroxy chemistry in the high-pressure ignition of n-butanol - Experiments and detailed kinetic modelling
Combustion and flame, 158 (8), 1444-1455, 2011
[DOI: 10.1016/j.combustflame.2010.12.028]
Vranckx, Stijn
Heufer, Karl Alexander
Lee, C.
Olivier, Herbert
Schill, Leonhard
et al.