期刊论文详细信息
Bulletin of the Korean chemical society | |
Friction of a Brownian Particle in a Lennard-Jones Solvent: A Molecular Dynamics Simulation Study | |
Song Hi Lee1  | |
关键词: Friction; Brownian particle; Lennard-Jones solvent; Molecular dynamics simulation; | |
DOI : | |
学科分类:化学(综合) | |
来源: Korean Chemical Society | |
【 摘 要 】
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,
【 授权许可】
Unknown
【 预 览 】
Files | Size | Format | View |
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RO201912010242175ZK.pdf | 509KB | download |