Ab initio chemical kinetics of Isopropyl acetate oxidation with OH radicals

Ab initio chemical kinetics of Isopropyl acetate oxidation with OH radicals

ABSTRACTGlobal reactivity descriptors of isopropyl acetate (IPA) and thermo-kinetic aspects of its oxidation via OH radicals have been studied. Transition state theory (TST) was utilized to estimate the bimolecular rate constants. Ten oxidation pathways have been investigated, and all of them are ex...

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Bibliographic Details
Main Authors: Mohamed A. Abdel-Rahman, Mohamed F. Shibl, Abolfazl Shiroudi, Mohamed A. M. Mahmoud
Format: Article
Language:English
Published: Taylor & Francis Group 2023-01-01
Series:Green Chemistry Letters and Reviews
Subjects:
Isopropyl acetate
oxidation
thermochemistry
chemical kinetics
Online Access:https://www.tandfonline.com/doi/10.1080/17518253.2023.2233539

Internet

https://www.tandfonline.com/doi/10.1080/17518253.2023.2233539

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