Direct Kinetic Measurements and Master Equation Modelling of the Unimolecular Decomposition of Resonantly-Stabilized CH2CHCHC(O)OCH3 Radical and an Upper Limit Determination for CH2CHCHC(O)OCH3 + O-2 Reaction
Permalink
Citation
Joshi , S P , Seal , P , Pekkanen , T T , Timonen , R S & Eskola , A J 2020 , ' Direct Kinetic Measurements and Master Equation Modelling of the Unimolecular Decomposition of Resonantly-Stabilized CH2CHCHC(O)OCH3 Radical and an Upper Limit Determination for CH2CHCHC(O)OCH3 + O-2 Reaction ' , Zeitschrift für physikalische Chemie , vol. 234 , no. 7-9 , pp. 1251-1268 . https://doi.org/10.1515/zpch-2020-1612
| Title: | Direct Kinetic Measurements and Master Equation Modelling of the Unimolecular Decomposition of Resonantly-Stabilized CH2CHCHC(O)OCH3 Radical and an Upper Limit Determination for CH2CHCHC(O)OCH3 + O-2 Reaction |
| Author: | Joshi, Satya Prakash; Seal, Prasenjit; Pekkanen, Timo Theodor; Timonen, Raimo Sakari; Eskola, Arrke J. |
| Contributor organization: | Department of Chemistry Molecular Science |
| Date: | 2020-07 |
| Language: | eng |
| Number of pages: | 18 |
| Belongs to series: | Zeitschrift für physikalische Chemie |
| ISSN: | 0942-9352 |
| DOI: | https://doi.org/10.1515/zpch-2020-1612 |
| URI: | http://hdl.handle.net/10138/329666 |
| Abstract: | Methyl-Crotonate (MC, (E)-methylbut-2-enoate, CH2CHCHC(O)OCH3) is a potential component of surrogate fuels that aim to emulate the combustion of fatty acid methyl ester (FAME) biodiesels with significant unsaturated FAME content. MC has three allylic hydrogens that can be readily abstracted under autoignition and combustion conditions to form a resonantly-stabilized CH2CHCHC(O)OCH3 radical. In this study we have utilized photoionization mass spectrometry to investigate the O-2 addition kinetics and thermal unimolecular decomposition of CH2CHCHC(O)OCH3 radical. First we determined an upper limit for the bimolecular rate coefficient of CH2CHCHC(O)OCH3 + O-2 reaction at 600 K (k |
| Subject: |
CH2CHCHC(O)OCH3 radical
fatty acid methyl ester master equation modelling photo-ionization-mass-spectrometer unimolecular decomposition METHYL-ESTERS BIODIESEL THERMOCHEMISTRY 116 Chemical sciences |
| Peer reviewed: | Yes |
| Usage restriction: | openAccess |
| Self-archived version: | acceptedVersion |
Files in this item
Total number of downloads: Loading...
| Files | Size | Format | View |
|---|---|---|---|
| Direct_Kinetic_ ... ts_and_Master_Equation.pdf | 986.0Kb |
View/ |
This item appears in the following Collection(s)
-
Articles from TUHAT system
[53272]