Reactions of hydroxyl radicals with benzoic acid and benzoate-Reference-Cited by-同舟云学术

Reactions of hydroxyl radicals with benzoic acid and benzoate

Published:2017 Issue:57 Volume:7 Page:35776-35785
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Wu Chongchong¹²³,De Visscher Alex¹²³⁴⁵,Gates Ian Donald¹²³^ORCID

Affiliation:

1. Department of Chemical and Petroleum Engineering

2. University of Calgary

3. Canada

4. Department of Chemical and Materials Engineering

5. Concordia University

Abstract

Density functional theory was used to study the mechanism and kinetics of benzoic acid with hydroxyl radicals in both gas and aqueous phases as well as benzoate with hydroxyl radicals in the aqueous phase at the M06-2X/6-311+G(d,p) level of theory.

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2017/RA/C7RA05488B

Reference55 articles.

1. Oxidation of Oil Sands Process-Affected Water by Potassium Ferrate(VI)

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4. Extensive H-atom abstraction from benzoate by OH-radicals at the air–water interface

5. Quantum chemical modeling study of adsorption of benzoic acid on anatase TiO2 nanoparticles

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