Computational Studies on the Thermodynamic and Kinetic Parameters of Oxidation of 2-Methoxyethanol Biofuel via H-Atom Abstraction by Methyl Radical

In this work, a theoretical investigation of thermochemistry and kinetics of the oxidation of bifunctional 2-Methoxyethanol (2ME) biofuel using methyl radical was introduced. Potential-energy surface for various channels for the oxidation of 2ME was studied at density function theory (M06-2X) and ab...

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Detalles Bibliográficos
Autores principales: Abdel-Rahman, Mohamed A., El-Gogary, Tarek M., Al-Hashimi, Nessreen, Shibl, Mohamed F., Yoshizawa, Kazunari, El-Nahas, Ahmed M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2019
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6814854/
https://www.ncbi.nlm.nih.gov/pubmed/31653887
http://dx.doi.org/10.1038/s41598-019-51544-8

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6814854/
https://www.ncbi.nlm.nih.gov/pubmed/31653887
http://dx.doi.org/10.1038/s41598-019-51544-8

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