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Friction of a Brownian Particle in a Lennard-Jones Solvent: A Molecular Dynamics Simulation Study
2010
Bulletin of the Korean Chemical Society (Print)
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, σB/σs. The determination of the friction coefficients from the decay
doi:10.5012/bkcs.2010.31.04.959
fatcat:3hquczi4crhqjad4wc7l5pmtfa