Exploring the mechanism of hypochlorous acid decomposition in aqueous solutions

• Published in: Physical chemistry chemical physics : PCCP Vol. 21; no. 35; pp. 19342 - 19348
• Main Authors: Busch, Michael, Simic, Nina, Ahlberg, Elisabet
• Format: Journal Article
• Language: English
• Published: England Royal Society of Chemistry 2019
• Subjects: Acids; Aqueous solutions; Chemical Sciences; Chemistry; chlorate formation; chlorite; chromium(vi); Decomposition; Decomposition reactions; Density functional theory; Dependence; evolution; Fysik; Kemi; kinetics; Organic chemistry; Oxygen; Physical Sciences; Physics; Speciation; temperature; Water treatment

Hypochlorous acid is an intermediate in important industrial processes such as the production of chlorate but is also used for water treatment and disinfection. In aqueous solutions hypochlorous acid may decompose into oxygen or chlorate. Using density functional theory (DFT) modelling we have for t...