Stochastic dynamics in irreversible nonequilibrium environments. 1. The fluctuation-dissipation relation

Citation
R. Hernandez et Fl. Somer, Stochastic dynamics in irreversible nonequilibrium environments. 1. The fluctuation-dissipation relation, J PHYS CH B, 103(7), 1999, pp. 1064-1069
Citations number
33
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF PHYSICAL CHEMISTRY B
ISSN journal
15206106 → ACNP
Volume
103
Issue
7
Year of publication
1999
Pages
1064 - 1069
Database
ISI
SICI code
1520-6106(19990218)103:7<1064:SDIINE>2.0.ZU;2-Z
Abstract
A generalization of the generalized Langevin equation (stochastic dynamics) is introduced in order to model chemical reactions which take place in cha nging environments. The friction kernel representing the solvent response i s given a non-stationary form with respect to which the instantaneous rando m solvent force satisfies a natural generalization of the fluctuation-dissi pation relation. Theoretical considerations, as well as numerical simulatio ns, show that the dynamics of this construction satisfy the equipartition t heorem beyond its equilibrium limits.