Ab initio kinetics studies of hydrogen atom abstraction from methyl propanoate-Reference-Cited by-同舟云学术

Ab initio kinetics studies of hydrogen atom abstraction from methyl propanoate

Published:2016 Issue:6 Volume:18 Page:4594-4607
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Tan Ting¹²³⁴,Yang Xueliang⁵²³⁴,Ju Yiguang⁵²³⁴,Carter Emily A.⁵²³⁴⁶

Affiliation:

1. Department of Chemistry

2. Princeton University

3. Princeton

4. USA

5. Department of Mechanical and Aerospace Engineering

6. Program in Applied and Computational Mathematics

Abstract

The kinetics of hydrogen abstraction by five radicals (H, CH₃, O(³P), OH, and HO₂) from a biodiesel surrogate, methyl propanoate (MP), is theoretically investigated.

Funder

Directorate for Mathematical and Physical Sciences

Basic Energy Sciences

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2016/CP/C5CP07282D

Reference61 articles.

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4. Detailed chemical kinetic reaction mechanisms for soy and rapeseed biodiesel fuels

5. Rapeseed oil methyl ester oxidation over extended ranges of pressure, temperature, and equivalence ratio: Experimental and modeling kinetic study

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