Person

Dipl.-Ing.

Wassja Kopp

Model-Based Fuel Design

Kopp, Wassja
Chair of Technical Thermodynamics

Address

Building: 1300

Room: 217

Schinkelstraße 8

52062 Aachen

Contact

workPhone
Phone: +49 241 80 93492
Fax: +49 241 80 92255
 

Publications

Source Author(s)
[Journal Article]
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.
[Journal Article]
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, 2017
[DOI: 10.1016/j.proci.2016.06.162]
Kopp, Wassja Alexander
Burke, Ultan
Döntgen, Malte
Kröger, Leif Christian
Minwegen, Heiko
et al.
[Journal Article]
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 Olaf
[Poster]
Hydrogen Abstraction and Subsequent beta-Scission of Dimethoxymethane
8th 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.
[Poster]
Dissociation cascades of oxymethylene ethers
8th European Combustion Meeting Dubrovnik 2017-04-18 - 2017-04-21, 2017
Döntgen, Malte
Wächter, Daniel
Kröger, Leif Christian
Kopp, Wassja Alexander
Leonhard, Kai Olaf
[Journal Article]
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
Leonhard, Kai Olaf
Kopp, Wassja Alexander
Döntgen, Malte
[Journal Article]
Detailed kinetic modeling of dimethoxymethane : Part I:thermochemistry and kinetics predictions for key reactions
Combustion and flame, 2017
[DOI: 10.1016/j.combustflame.2017.07.037]
Kopp, Wassja Alexander
Curran, Henry J.
Burke, Ultan
Leonhard, Kai Olaf
Kröger, Leif Christian
et al.
[Contribution to a conference proceedings]
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 Olaf
[Abstract, Contribution to a conference proceedings]
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], 2017
Kröger, Leif Christian
Kopp, Wassja Alexander
Döntgen, Malte
Firaha, Dzmitry
Leonhard, Kai Olaf
[Journal Article]
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
Beeckmann, Joachim Lutz
Kopp, Wassja A.
Uygun, Yasar
Olivier, Herbert
et al.
[Journal Article]
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 Olaf
[Journal Article]
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 C.
Kopp, Wassja A.
Ismail, Ahmed E.
et al.
[Journal Article]
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 A.
Leonhard, Kai
[Conference Presentation]
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 C.
Kopp, Wassja A.
Ismail, Ahmed E.
et al.
[Conference Presentation]
An alternative fate of formyl: Formic acid as a combustion intermediate
International Chemical Congress of Pacific Basin Societies 2015 Honolulu 2015-12-15 - 2015-12-20, 2015
Döntgen, Malte
Kopp, Wassja A.
Leonhard, Kai Olaf
[Conference Presentation]
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 Olaf
[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 Olaf
[Conference Presentation]
Analyse komplexer Reaktionsnetzwerke und Ermittlung kinetischer Daten aus reaktiven molekulardynamischen Simulationen
Thermodynamik-Kolloquium 2014 Stuttgart 2014-09-22 - 2014-09-24, 2014
Kopp, A.
Döntgen, Malte
Przybylski-Freund, Marie-Dominique
Kröger, Leif Christian
Leonhard, Kai Olaf
[Conference Presentation]
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.
Leonhard, Kai Olaf
Kopp, Wassja Alexander
Sarathy, M.
[Journal Article]
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 A.
Langer, Raymond Tim
Döntgen, Malte
Leonhard, Kai
[Journal Article]
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
Beeckmann, Joachim Lutz
Kopp, Wassja A.
Lee, Changyoul
Cai, Liming
et al.
[Conference Presentation]
Combustion Kinetics of Di-n-butylether and 2-Methyltetrahydrofuran as Examples
1st TMFB International Conference Aachen 2013-06-18 - 2013-06-20, 2013
Sudholt, A.
Lee, C.
Kopp, Wassja Alexander
Cai, L.
Heufer, A.
et al.
[Poster]
Hydrogen Abstraction by HO2 Radicals from Tetrahydrofuran
34th International Symposium on Combustion Warsaw 2012-07-29 - 2012-08-03, 2012
Kopp, Wassja Alexander
Leonhard, Kai Olaf
[Poster]
Molecular Modeling for Fuel Design
5th TMFB International Workshop, Cluster of Excellence Tailor-Made Fuels from Biomass Aachen 2012-06-13 - 2012-06-14, 2012
Yamin, Peyman
Kopp, Wassja A.
Schwarz, Annett
Umer, Muhammad
Leonhard, Kai
[Conference Presentation]
An Experimental and Kinetic Modelling Study of Butyl Formate Combustion
5th TMFB International Workshop Aachen 2012-06-06 - 2012-06-14, 2012
Vranckx, S.
Lee, C.
Fernandes, R.
Uygun, Y.
Olivier, H.
et al.
[Journal Article]
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, K. Alexander
Lee, C.
Olivier, Herbert
Schill, Leonhard
et al.
[Conference Presentation]
Modeling of Thermodynamic and Kinetic Fuel Properties
4th TMFB International Workshop Aachen 2011-05-24 - 2011-05-26, 2011
Kopp, Wassja Alexander
Leonhard, Kai Olaf
[Contribution to a book, Contribution to a conference proceedings]
Hydrogen Abstraction From N-Butyl Formate by H-Radicals
[7th Mediterranean Combustion Symposium, MCS 7, 2011-09-11 - 2011-09-15, Chia Laguna, Italy], 2011
Kopp, Wassja Alexander
Leonhard, Kai Olaf
[Poster]
Modellbasierte Kraftstoffentwicklung - Model-Based Fuel Design
4th TMFB International Workshop Aachen 2011-05-24 - 2011-05-25, 2011
Yamin, Peyman
Schwarz, Annett Barbara
Kahlen, Jens
Masuch, Kai
Kopp, Wassja Alexander
et al.