Comparison of thermal and catalytic cracking of 1-heptene from ReaxFF reactive molecular dynamics simulations

Combustion and Flame

Volumn 160, Issue 4, 2013, Pages 766-775

  Castro Marcano, Fidel ^a   van Duin, Adri C T ^b  

^a PENNSYLVANIA STATE UNIVERSITY   (United States)

^b The Pennsylvania State University   (United States)

Author keywords

Aviation fuel; Endothermic reactions; Heat sink capacity; ReaxFF; Supercritical conditions

Indexed keywords

AVIATION FUEL; ENDOTHERMIC REACTIONS; HEAT SINK CAPACITY; REAXFF; SUPERCRITICAL CONDITION;

ALUMINOSILICATES; CATALYTIC CRACKING; CHEMICAL ANALYSIS; HYDROCARBONS; JET ENGINES; MOLECULAR DYNAMICS; SILICA;

CRACKS;

1 HEPTENE; ALUMINOSILICATE CALCIUM; CARBON; FUEL; HYDROCARBON; HYDROGEN; NANOPARTICLE; SILICON DIOXIDE; UNCLASSIFIED DRUG;

ARTICLE; CATALYSIS; CHEMICAL BOND; CHEMICAL REACTION; COMPARATIVE STUDY; CONTROLLED STUDY; DEHYDROGENATION; MOLECULAR DYNAMICS; PRIORITY JOURNAL; PROTON TRANSPORT; SIMULATION; TEMPERATURE STRESS;

EID: 84874327281     PISSN: 00102180     EISSN: 15562921     Source Type: Journal    
DOI: 10.1016/j.combustflame.2012.12.007     Document Type: Article

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