Determination of transition state theory rate constants to describe mercury oxidation in combustion systems mediated by Cl, Cl 2, HCl and HOCl

Fuel Processing Technology

Volumn 94, Issue 1, 2012, Pages 1-9

  Krishnakumar, Balaji ^a   Helble, Joseph J ^b  

^a UNIVERSITY OF CONNECTICUT   (United States)

^b DARTMOUTH COLLEGE   (United States)

Author keywords

chlorine; constants; Mercury; rate; theoretical

Indexed keywords

BASIS SETS; CALCULATED VALUES; COMBUSTION SYSTEMS; CONSTANTS; DIFFUSE FUNCTIONS; MERCURY OXIDATIONS; QUANTUM CHEMISTRY CALCULATIONS; RADICAL RECOMBINATION REACTIONS; RATE; REACTION ENTHALPIES; REACTION MECHANISM; REACTIVE INTERMEDIATE; RECOMBINATION REACTIONS; TEMPERATURE RANGE; THEORETICAL; TRANSITION STATE THEORIES; VIBRATION FREQUENCY;

ACTIVATION ENERGY; CHLORINE; COMPUTATIONAL CHEMISTRY; MERCURY (METAL); MERCURY COMPOUNDS; QUANTUM CHEMISTRY; QUANTUM THEORY;

RATE CONSTANTS;

EID: 80355125379     PISSN: 03783820     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.fuproc.2011.09.015     Document Type: Article

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