Molecular simulation studies on chemical reactivity of methylcyclopentadiene

Journal of Hazardous Materials

Volumn 165, Issue 1-3, 2009, Pages 141-147

  Wang, Qingsheng ^a   Zhang, Yingchun ^a   Rogers, William J ^a   Mannan, M Sam ^a  

^a Texas AandM University   (United States)

Author keywords

Chemical reactivity; Evans Polanyi equation; Methylcyclopentadiene; Molecular simulation; T2 Laboratories explosion; Transition State Theory

Indexed keywords

EVANS-POLANYI EQUATION; METHYLCYCLOPENTADIENE; MOLECULAR SIMULATION; T2 LABORATORIES EXPLOSION; TRANSITION STATE THEORY;

CHEMICAL ENGINEERING; CHEMICAL INDUSTRY; DIMERIZATION; EXPLOSIONS; IMAGE STORAGE TUBES; ISOMERIZATION; MOLECULAR STRUCTURE; OXIDATION; THERMODYNAMICS;

CHEMICAL REACTIVITY;

2 METHYLCYCLOPENTADIENE; CYCLOPENTADIENE DERIVATIVE; UNCLASSIFIED DRUG;

CORRELATION; HAZARDOUS WASTE; MOLECULAR ANALYSIS; NUMERICAL METHOD;

ARTICLE; CHEMICAL REACTION; CHEMICAL STRUCTURE; CONTROLLED STUDY; DIMERIZATION; ISOMER; ISOMERIZATION; OXIDATION; SIMULATION; THERMODYNAMICS;

CHEMICAL INDUSTRY; COMPUTER SIMULATION; CYCLOPARAFFINS; EXPLOSIONS; SAFETY; THERMODYNAMICS;

EID: 64549129093     PISSN: 03043894     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jhazmat.2008.09.087     Document Type: Article

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