Mechanism and direct kinetics study on the homogeneous gas-phase formation of PBDD/Fs from 2-BP, 2,4-DBP, and 2,4,6-TBP as precursors

Environmental Science and Technology

Volumn 45, Issue 5, 2011, Pages 1917-1925

  Yu, Wanni ^a   Hu, Jingtian ^a   Xu, Fei ^a   Sun, Xiaoyan ^a   Gao, Rui ^a   Zhang, Qingzhu ^a   Wang, Wenxing ^a  

^a SHANDONG UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

CANONICAL VARIATIONAL TRANSITIONS; DENSITY FUNCTIONAL THEORY CALCULATIONS; DIOXIN FORMATION; ELEMENTARY REACTION; ENERGETIC PARAMETERS; FORMATION MECHANISM; GASPHASE; KINETICS STUDIES; ORTHO POSITION; PCDD/F FORMATION; SMALL-CURVATURE TUNNELING; STATIONARY POINTS; TEMPERATURE RANGE;

BROMINE; PETROLEUM REFINING; RATE CONSTANTS;

DENSITY FUNCTIONAL THEORY;

DIBENZODIOXIN DERIVATIVE; DIBENZOFURAN DERIVATIVE; POLYBROMINATED DIBENZODIOXIN; POLYBROMINATED DIBENZOFURAN;

BROMINE; DIOXIN; ENERGY EFFICIENCY; FREQUENCY ANALYSIS; GAS PHASE REACTION; GEOMETRY; REACTION KINETICS; TEMPERATURE EFFECT;

ARTICLE; CANONICAL VARIATES ANALYSIS; CHEMICAL REACTION; CONTROLLED STUDY; DENSITY FUNCTIONAL THEORY; GAS; GEOMETRY; KINETICS; PRECURSOR; TEMPERATURE; THEORY;

AIR POLLUTANTS; BENZOFURANS; BROMINE COMPOUNDS; DIOXINS; KINETICS; PHENOLS;

EID: 79952175781     PISSN: 0013936X     EISSN: 15205851     Source Type: Journal    
DOI: 10.1021/es103536t     Document Type: Article

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