The chemical Langevin equation

被引:1036
作者
Gillespie, DT [1 ]
机构
[1] USN, Air Warfare Ctr, Res Dept, China Lake, CA 93555 USA
关键词
Approximate time evolution equation - Chemical Langevin equation - Chemical master equation - Propensity function - Stochastic dynamical behavior;
D O I
10.1063/1.481811
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
The stochastic dynamical behavior of a well-stirred mixture of N molecular species that chemically interact through M reaction channels is accurately described by the chemical master equation. It is shown here that, whenever two explicit dynamical conditions are satisfied, the microphysical premise from which the chemical master equation is derived leads directly to an approximate time-evolution equation of the Langevin type. This chemical Langevin equation is the same as one studied earlier by Kurtz, in contradistinction to some other earlier proposed forms that assume a deterministic macroscopic evolution law. The novel aspect of the present analysis is that it shows that the accuracy of the equation depends on the satisfaction of certain specific conditions that can change from moment to moment, rather than on a static system size parameter. The derivation affords a new perspective on the origin and magnitude of noise in a chemically reacting system. It also clarifies the connection between the stochastically correct chemical master equation, and the deterministic but often satisfactory reaction rate equation. [S0021-9606(00)50925-8].
引用
收藏
页码:297 / 306
页数:10
相关论文
共 21 条
[1]  
[Anonymous], 1973, J. Stat. Phys.
[2]  
[Anonymous], 1992, Markov Processes: An Introduction to Physical Scientists
[3]   Microscopic simulation of chemical bistability in homogeneous systems [J].
Baras, F ;
Mansour, MM ;
Pearson, JE .
JOURNAL OF CHEMICAL PHYSICS, 1996, 105 (18) :8257-8261
[5]  
Gardiner C. W., 1985, HDB STOCHASTIC METHO, V3
[6]   GENERAL METHOD FOR NUMERICALLY SIMULATING STOCHASTIC TIME EVOLUTION OF COUPLED CHEMICAL-REACTIONS [J].
GILLESPIE, DT .
JOURNAL OF COMPUTATIONAL PHYSICS, 1976, 22 (04) :403-434
[7]   A RIGOROUS DERIVATION OF THE CHEMICAL MASTER EQUATION [J].
GILLESPIE, DT .
PHYSICA A, 1992, 188 (1-3) :404-425
[9]   The multivariate Langevin and Fokker-Planck equations [J].
Gillespie, DT .
AMERICAN JOURNAL OF PHYSICS, 1996, 64 (10) :1246-1257
[10]   LANGEVIN FORCES IN CHEMICALLY REACTING MULTICOMPONENT FLUIDS [J].
GROSSMANN, S .
JOURNAL OF CHEMICAL PHYSICS, 1976, 65 (05) :2007-2012