Ontology highlight
ABSTRACT:
SUBMITTER: Cord M
PROVIDER: S-EPMC3579492 | biostudies-literature | 2012 Jun
REPOSITORIES: biostudies-literature
Cord Maximilien M Sirjean Baptiste B Fournet René R Tomlin Alison A Ruiz-Lopez Manuel M Battin-Leclerc Frédérique F
The journal of physical chemistry. A 20120208 24
This paper revisits the primary reactions involved in the oxidation of n-butane from low to intermediate temperatures (550-800 K) including the negative temperature coefficient (NTC) zone. A model that was automatically generated is used as a starting point and a large number of thermochemical and kinetic data are then re-estimated. The kinetic data of the isomerization of alkylperoxy radicals giving (•)QOOH radicals and the subsequent decomposition to give cyclic ethers has been calculated at t ...[more]