Dynamics of Peroxy and Alkenyl Radicals Undergoing Competing Rearrangements in Biodiesel Combustion
- State Univ. of New York (SUNY), Syracuse, NY (United States)
Biodiesel fuel is increasingly being used worldwide. Although we have a fair understanding of the molecular details of the chemistry of peroxy radicals derived from alkanes, biodiesel fuels contain ester and olefin groups which significantly impact the thermodynamics and kinetics of biodiesel ignition. The broader goal of this research is to carry out systematic computational studies of the elementary kinetics of the chemistry of ROO•, QOOH and •OOQOOH compounds that are models for biodiesel ignition.
- Research Organization:
- State University of New York (SUNY), Syracuse, NY (United States). Environmental Science and Forestry Syracuse
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- DOE Contract Number:
- SC0002511
- OSTI ID:
- 1243092
- Report Number(s):
- DOE-SUNYESF-SC0002511
- Country of Publication:
- United States
- Language:
- English
Similar Records
Quantitative Detection of Products and Radical Intermediates in Low-Temperature Oxidation of Cyclopentane
Stereoisomer-dependent unimolecular kinetics of 2,4-dimethyloxetanyl peroxy radicals
Understanding how chemical structure affects ignition-delay-time $\phi$-sensitivity
Journal Article
·
Tue May 18 00:00:00 EDT 2021
· Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory
·
OSTI ID:1243092
+1 more
Stereoisomer-dependent unimolecular kinetics of 2,4-dimethyloxetanyl peroxy radicals
Journal Article
·
Wed Apr 20 00:00:00 EDT 2022
· Faraday Discussions
·
OSTI ID:1243092
Understanding how chemical structure affects ignition-delay-time $\phi$-sensitivity
Journal Article
·
Mon Nov 23 00:00:00 EST 2020
· Combustion and Flame
·
OSTI ID:1243092
+5 more