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Bulletin of the Korean Chemical Society (BKCS)

ISSN 0253-2964(Print)
ISSN 1229-5949(Online)
Volume 31, Number 4
BKCSDE 31(4)
April 20, 2010 
 
Title
 Friction of a Brownian Particle in a Lennard-Jones Solvent: A Molecular Dynamics Simulation Study
Author
 Song Hi Lee
Keywords
 Friction, Brownian particle, Lennard-Jones solvent, Molecular dynamics simulation
Abstract
 In this work, equilibrium molecular dynamics (MD) simulations in a microcanonical ensemble are performed to evaluate the friction coefficient of a Brownian particle (BP) in a Lennard-Jones (LJ) solvent. The friction coefficients are determined from the time dependent friction coefficients and the momentum autocorrelation functions of the BP with its infinite mass at various ratios of LJ size parameters of the BP and solvent,
Page
 959 - 964
Full Text
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