Modeling Ignition of a Heptane Isomer: Improved Thermodynamics, Reaction Pathways, Kinetics, and Rate Rule Optimizations for 2-Methylhexane-Reference-Cited by-同舟云学术

Modeling Ignition of a Heptane Isomer: Improved Thermodynamics, Reaction Pathways, Kinetics, and Rate Rule Optimizations for 2-Methylhexane

Published:2016-03-31 Issue:14 Volume:120 Page:2201-2217
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Mohamed Samah Y.¹,Cai Liming²,Khaled Fethi¹,Banyon Colin³,Wang Zhandong¹,Al Rashidi Mariam J.¹,Pitsch Heinz²,Curran Henry J.³,Farooq Aamir¹,Sarathy S. Mani¹

Affiliation:

1. Clean Combustion Research Center, King Abdullah University of Science and Technology, Thuwal, 23955-6900, Saudi Arabia

2. Institute for Combustion Technology, RWTH Aachen University, 52062 Aachen, Germany

3. Combustion Chemistry Centre, Ryan Institute, School of Chemistry, National University of Ireland, Galway, Ireland

Funder

People Programme (Marie Curie Actions) of the European Union's Seventh Framework Programme

Excellence Initiative of the German federal state governments to promote science and research at German universities

Saudi Aramco under the FUELCOM program and by the King Abdullah University of Science and Technology (KAUST)

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.6b00907

Reference52 articles.

1. Rate-Based Construction of Kinetic Models for Complex Systems

2. The kinetics and thermochemistry of chemical oxidation with application to combustion and flames

3. Current Status of Group Additivity

4. Revisiting the Kinetics and Thermodynamics of the Low-Temperature Oxidation Pathways of Alkanes: A Case Study of the Three Pentane Isomers

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