On nonequilibrium spatial correlations in a model chemical reaction

Junichi Wakou, Kazuo Kitahara, Marek Litniewski and Jerzy Gorecki

Physica A: Statistical Mechanics and its Applications, 2003, vol. 328, issue 1, 23-43

Abstract: We study the nonequilibrium spatial correlations of the density fluctuations for a selected reagent as well as the spatial correlations of its energetic states in a stationary state of a model chemical system. In the considered chemical model the reagent of interest appears as a product of a binary process and vanishes as the result of a fast unimolecular decay. Assuming that the lifetime of the reagent is short enough to treat its motion as a ballistic rather than diffusive one we derive analytical formulae for all correlation functions. The results obtained from these formulae agree well with correlations directly measured in molecular dynamics simulations.

Keywords: Chemical reaction; Spatial correlations; Density fluctuations (search for similar items in EconPapers)
Date: 2003
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Persistent link: https://EconPapers.repec.org/RePEc:eee:phsmap:v:328:y:2003:i:1:p:23-43

DOI: 10.1016/S0378-4371(03)00479-5

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