Application of runaway reaction mechanism generation to predict and control reactive hazards

Computers and Chemical Engineering

Volumn 31, Issue 3, 2007, Pages 121-126

  Wei, Chunyang ^a   Rogers, William J ^a   Mannan, M Sam ^a  

^a Department of Electrical and Computer Engineering   (United States)

Author keywords

Evans Polanyi; Hydroxylamine; Mechanism generation; Quantum chemistry; Runaway reaction

Indexed keywords

AMINES; COMPUTATION THEORY; COMPUTER SIMULATION; FREE ENERGY; PARAMETER ESTIMATION; REACTION KINETICS;

HYDROXYLAMINE; MECHANISM GENERATION; QUANTUM CHEMISTRY; RUNAWAY REACTION;

ACCIDENT PREVENTION;

ACCIDENT PREVENTION; AMINES; COMPUTATION THEORY; COMPUTER SIMULATION; FREE ENERGY; PARAMETER ESTIMATION; REACTION KINETICS;

EID: 33845902583     PISSN: 00981354     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.compchemeng.2006.05.009     Document Type: Article

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