Effects of fuel additives on the thermal cracking of n-decane from reactive molecular dynamics

Journal of Physical Chemistry A

Volumn 116, Issue 15, 2012, Pages 3794-3801

  Wang, Quan De ^a   Hua, Xiao Xiao ^a   Cheng, Xue Min ^a   Li, Juan Qin ^a   Li, Xiang Yuan ^a  

^a SICHUAN UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ABSTRACTING; ACTIVATION ENERGY; CRACKING (CHEMICAL); CRACKS; DEHYDROGENATION; ETHERS; FUEL ADDITIVES; KINETIC PARAMETERS; KINETIC THEORY; MOLECULAR DYNAMICS; QUANTUM THEORY; REACTION KINETICS;

APPARENT ACTIVATION ENERGY; CHEMICAL KINETIC MODEL; DEHYDROGENATION REACTIONS; METHYL TERT BUTYL ETHER; PREEXPONENTIAL FACTOR; QUANTUM-MECHANICAL CALCULATION; REACTIVE FORCE FIELD; REACTIVE MOLECULAR DYNAMICS;

PARAFFINS;

EID: 84860143181     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp300059a     Document Type: Article

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