Theoretical Kinetics Analysis for Ḣ Atom Addition to 1,3-Butadiene and Related Reactions on the Ċ4H7 Potential Energy Surface-Reference-Cited by-同舟云学术

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Theoretical Kinetics Analysis for Ḣ Atom Addition to 1,3-Butadiene and Related Reactions on the Ċ4H7 Potential Energy Surface

Published:2017-09-29 Issue:40 Volume:121 Page:7433-7445
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Li Yang¹,Klippenstein Stephen J.²^ORCID,Zhou Chong-Wen³^ORCID,Curran Henry J.¹^ORCID

Affiliation:

1. Combustion Chemistry Centre, National University of Ireland, Galway, Ireland

2. Chemical Sciences and Engineering Division, Argonne National Laboratory, Argonne, Illinois 60439, United States

3. School of Energy and Power Engineering, Beihang University, Beijing 100191, P. R. China

Funder

Basic Energy Sciences

Science Foundation Ireland

Saudi Aramco

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.7b05996

Reference65 articles.

1. An experimental and modeling study of propene oxidation. Part 1: Speciation measurements in jet-stirred and flow reactors

2. An experimental and modeling study of propene oxidation. Part 2: Ignition delay time and flame speed measurements

3. An extensive experimental and modeling study of 1-butene oxidation

4. The oxidation of 2-butene: A high pressure ignition delay, kinetic modeling study and reactivity comparison with isobutene and 1-butene

5. A comprehensive experimental and modeling study of isobutene oxidation

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