Molecular dynamics simulations of laser-induced incandescence of soot using an extended ReaxFF reactive force field

Journal of Physical Chemistry A

Volumn 114, Issue 48, 2010, Pages 12561-12572

  Kamat, Amar M ^a   Van Duin, Adri C T ^a   Yakovlev, Alexei ^b  

^a The Pennsylvania State University   (United States)

^b VU UNIVERSITY AMSTERDAM   (Netherlands)

Author keywords

[No Author keywords available]

Indexed keywords

ACCOMMODATION COEFFICIENTS; AMSTERDAM DENSITY FUNCTIONAL PROGRAMS; CARBON ATOMS; EXPERIMENTAL VALUES; FORCE FIELD PARAMETERS; GAS SPECIES; GRAPHENE SHEETS; HYDROCARBON COMBUSTION; IN-SITU MEASUREMENT; LASER INDUCED INCANDESCENCE; MOLECULAR DYNAMICS SIMULATIONS; POLYATOMIC GAS; PRIMARY PARTICLE SIZE; REACTIVE FORCE FIELD; SOOT PARTICLES; SOOT VOLUME FRACTION; SUBSEQUENT COOLING; THERMAL ACCOMMODATION COEFFICIENT;

COOLING; DUST; EVAPORATION; GRAPHENE; HYDROCARBONS; MOLECULAR DYNAMICS; NEON; OXIDATION; SOOT;

DENSITY OF GASES;

EID: 78649810103     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp1080302     Document Type: Article

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