Ontology highlight
ABSTRACT:
SUBMITTER: Abdel-Rahman MA
PROVIDER: S-EPMC6418115 | biostudies-literature | 2019 Mar
REPOSITORIES: biostudies-literature
Abdel-Rahman Mohamed A MA Al-Hashimi Nessreen N Shibl Mohamed F MF Yoshizawa Kazunari K El-Nahas Ahmed M AM
Scientific reports 20190314 1
Oxygenated organic compounds derived from biomass (biofuel) are a promising alternative renewable energy resource. Alcohols are widely used as biofuels, but studies on bifunctional alcohols are still limited. This work investigates the unimolecular thermal degradation of 2-methoxyethanol (2ME) using DFT/BMK and ab initio (CBS-QB3 and G3) methods. Enthalpies of the formation of 2ME and its decomposition species have been calculated. Conventional transition state theory has been used to estimate t ...[more]