2004
DOI: 10.1063/1.1815291
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Friction and diffusion of a Brownian particle in a mesoscopic solvent

Abstract: The friction and diffusion coefficients of a massive Brownian particle in a mesoscopic solvent are computed from the force and the velocity autocorrelation functions. The mesoscopic solvent is described in terms of free streaming of the solvent molecules, interrupted at discrete time intervals by multiparticle collisions that conserve mass, momentum, and energy. The Brownian particle interacts with the solvent molecules through repulsive Lennard-Jones forces. The decays of the force and velocity autocorrelatio… Show more

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Cited by 76 publications
(96 citation statements)
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“…The dynamic properties of binary fluid systems where one particle species differs from the other only in size, mass or both of these parameters have been the subject of a large number of studies during the last years [1,2,3,4,5,6,7,8,9,10,11,12]. The increasing interest is, on the one hand, due to the fact that such systems serve as simple models for colloids and micellar solutions, which are of prime importance in many scientific areas such as biology or biochemistry, on the other hand it is sparked by the rapidly growing capabilities of modern computer hardware which allows us to investigate parameter ranges and system sizes that were not accessible before.…”
Section: Introductionmentioning
confidence: 99%
“…The dynamic properties of binary fluid systems where one particle species differs from the other only in size, mass or both of these parameters have been the subject of a large number of studies during the last years [1,2,3,4,5,6,7,8,9,10,11,12]. The increasing interest is, on the one hand, due to the fact that such systems serve as simple models for colloids and micellar solutions, which are of prime importance in many scientific areas such as biology or biochemistry, on the other hand it is sparked by the rapidly growing capabilities of modern computer hardware which allows us to investigate parameter ranges and system sizes that were not accessible before.…”
Section: Introductionmentioning
confidence: 99%
“…By using < k B T >¼ ms 6ðMÀ1Þ h P i v 2 i i and central limit theorem, < v >¼ ffiffiffiffiffiffiffi ffi 6kBT Mms q v 0 in which v 0 is a unit vector of random rotation in the range of 3608 or 1808 away from or at the inner planer surface of the solvent container. 19,20,31 As \v[ is approximately given as a time-independent quantity, the friction coefficient f 0 can also be estimated by as a constant f 0 5 m b s 21 . 14,32,36 f i (t) is the random force exerted by the surrounding solvent upon the ith solvent particle, which is given in terms of the Gaussian white noise and obeys the fluctuation-dissipation theorem:…”
Section: Methodsmentioning
confidence: 99%
“…[17][18][19][20][21][22] In particular, coarse-grained molecular dynamics (CG-MD) with explicit hydrodynamics has been used for studying the friction and the collision of polymers and the tethered polymers in shear flow, [17][18][19] and the dissipative particle dynamics (DPD) method has been used for studying the mobility of DNA electrophoresis in a well-studied nano-fluidic device in explicit solvent. 22 Nonetheless, the computing cost of these explicit solvent methods tends to become prohibitively high for systems of very large number of solvent particles, primarily because of the need in computing pair-wise interactions among solvent particles by these methods.…”
Section: Introductionmentioning
confidence: 99%
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