Comparative investigation on antioxidant properties of phenolic compounds in lubricants

نویسندگان

چکیده

Antioxidant properties of several phenolic compounds in lubricants were investigated by quantum mechanical simulation. The reaction barrier phenol, 2-tert-butylphenol and 2,6-di-tert-butylphenol with the alkoxy free radical generated oxidation, bond dissociation energy O-H them, difference from HOMO to LUMO them calculated. activity phenoxy radicals formed after hydrogen supply was compared. results showed that capacity decreased, while increased obviously increase substituents on benzene ring. As number ortho rise, decreased slowly. antioxidant related not only but also steric hindrance antioxidants.

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ژورنال

عنوان ژورنال: Journal of physics

سال: 2022

ISSN: ['0022-3700', '1747-3721', '0368-3508', '1747-3713']

DOI: https://doi.org/10.1088/1742-6596/2348/1/012016