A fully integrated Kinetic Monte Carlo/Molecular Dynamics approach for the simulation of soot precursor growth

Proceedings of the Combustion Institute

Volumn 29, Issue 2, 2002, Pages 2343-2349

  Violi, A ^a   Kubota, A ^b   Truong, T N ^a   Pitz, W J ^b   Westbrook, C K ^b   Sarofim, A F ^a  

^a UNIVERSITY OF UTAH   (United States)

^b LAWRENCE LIVERMORE NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMBUSTION; DIHEDRAL ANGLE; KINETICS; NAPHTHALENE; POLYCYCLIC AROMATIC HYDROCARBONS; QUANTUM CHEMISTRY; SOOT;

ATOMIC SCALE STRUCTURES; COMBUSTION PROBLEMS; GROWTH OF PARTICLES; HIGH MOLECULAR MASS COMPOUNDS; KINETIC MONTE CARLO; QUANTUM CHEMICAL CALCULATIONS; SIMULATION PROCEDURES; THREE-DIMENSIONAL STRUCTURE;

MONTE CARLO METHODS;

EID: 0038302186     PISSN: 15407489     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1540-7489(02)80285-1     Document Type: Article

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