Formation mechanism of NDMA from ranitidine, trimethylamine, and other tertiary amines during chloramination: A computational study

Environmental Science and Technology

Volumn 48, Issue 15, 2014, Pages 8653-8663

  Liu, Yong Dong ^a   Selbes, Meric ^b   Zeng, Chengchu ^a   Zhong, Rugang ^a   Karanfil, Tanju ^b  

^a BEIJING UNIVERSITY OF TECHNOLOGY   (China)

^b Clemson University   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AMINES; BOND STRENGTH (CHEMICAL);

ALIPHATIC TERTIARY AMINES; AROMATIC TERTIARY AMINES; BOND DISSOCIATION ENERGIES; COMPUTATIONAL STUDIES; DISINFECTION BY-PRODUCT; N-NITROSODIMETHYLAMINE; NUCLEOPHILIC SUBSTITUTIONS; STRUCTURE-ACTIVITY STUDIES;

AMINATION;

DIMETHYLNITROSAMINE; DISSOLVED OXYGEN; HYDROCHLORIC ACID; RANITIDINE; TERTIARY AMINE; TOSYLCHLORAMIDE SODIUM; TRIMETHYLAMINE; AMINE; CHLORAMINE DERIVATIVE; DRINKING WATER; DRUG; METHYLAMINE;

ARTICLE; CHLORAMINATION; COMPLEX FORMATION; COMPUTATIONAL FLUID DYNAMICS; CONTROLLED STUDY; DENSITY FUNCTIONAL THEORY; DISSOCIATION; ELIMINATION REACTION; NUCLEOPHILICITY; OXIDATION; SOLVATION; SUBSTITUTION REACTION; WATER TREATMENT; CHEMISTRY; DISINFECTION; SYNTHESIS;

AMINES; CHLORAMINES; DIMETHYLNITROSAMINE; DISINFECTION; DRINKING WATER; METHYLAMINES; PHARMACEUTICAL PREPARATIONS; RANITIDINE;

EID: 84905656807     PISSN: 0013936X     EISSN: 15205851     Source Type: Journal    
DOI: 10.1021/es500997e     Document Type: Article

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