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Open AccessJournal ArticleDOI

Theory of Self‐Diffusion in Classical Fluids: The Van Hove Self‐Correlation Function G8(r, t)

A. Ziya Akcasu, +2 more
- 01 Jan 1970 - 
- Vol. 13, Iss: 9, pp 2213-2221
TLDR
In this article, the Van Hove self-correlation function Gs(r, t) is calculated in configuration space (analogous to generalized hydrodynamic equations) and phase space (kinetic equations) which are then suitably approximated and solved using either perturbation or modeling methods.
Abstract
Projection operator techniques have been applied to study the diffusion of a test particle in a classical many‐particle system such as a liquid or a plasma. Particular attention has been directed towards the calculation ot the Van Hove self‐correlation function Gs(r, t). This calculation proceeds through the development of exact descriptions of Gs(r, t), both in configuration space (analogous to generalized hydrodynamic equations) and phase space (kinetic equations) which are then suitably approximated and solved using either perturbation or modeling methods. These results compare quite favorably with molecular dynamics computer experiments.

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Structure and transport properties of polymer grafted nanoparticles.

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Incoherent scattering function in simple classical liquids

TL;DR: In this paper, the halfwidth at half maximum omega 12/(q), of this function is calculated for liquid argon and rubidium, and the results are compared with corresponding MD results.
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Self‐structure factor of hard‐sphere gases for arbitrary ratio of bath to test particle masses

TL;DR: In this paper, the self-structure factor Ss(k,ω) for test particles of mass different from the mass of the bath particles is considered and solved by the Gross-Jackson (GJ) model.
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On the relative dynamics of pairs of atoms in simple liquids

TL;DR: In this paper, the mutual dynamics of pairs of atoms in a dense Lennard-Jones fluid were studied by evaluating relative velocity autocorrelation functions for particle pairs with separation r 0 in a given distance range a 0 ⩽ r 0 b 0 at time using computer simulation.
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On the approach to kinetic theory due to Gross

TL;DR: In this article, a renormalized version of the Liouville distribution is introduced, where the potential is eliminated and clusters of particles are never isolated, and the collision kernel of the second approximation is shown to be a mean-field generalization of the known low-density kernel.
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