Molecular dynamics simulation of partially diffusion-controlled reaction between mono- and diatomic molecules

Journal of Molecular Liquids

Volumn 147, Issue 1-2, 2009, Pages 30-36

  Uwabe, Ami ^a   Ueno, Masakatsu ^a   Ibuki, Kazuyasu ^a  

^a DOSHISHA UNIVERSITY   (Japan)

Author keywords

Diffusion equation; Diffusion controlled reaction; Fokker Planck Kramers equation; Molecular dynamics

Indexed keywords

DIATOMIC MOLECULES; DIFFUSION EQUATION; DIFFUSION-CONTROLLED REACTION; FOKKER-PLANCK-KRAMERS EQUATION; FUNCTIONAL FORMS; LIQUID DENSITIES; MOLECULAR DYNAMICS SIMULATIONS; POPULATION DISTRIBUTIONS; REACTION PROBABILITIES; REACTION SURFACES; REORIENTATIONAL MOTIONS; SIMULATION RESULTS; TIME DEPENDENCES; TIME TRANSIENTS;

DIFFUSION; DYNAMICS; EQUATIONS OF MOTION; FOKKER PLANCK EQUATION; MOLECULAR DYNAMICS; MOLECULES; REACTION KINETICS; RECONNAISSANCE AIRCRAFT; STEELMAKING; SURFACE REACTIONS; VELOCITY CONTROL; VELOCITY DISTRIBUTION;

RATE CONSTANTS;

EID: 67349133598     PISSN: 01677322     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molliq.2008.07.004     Document Type: Article

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