MICROSCOPIC SIMULATION OF CHEMICAL OSCILLATIONS IN HOMOGENEOUS SYSTEMS

被引：48

作者：

BARAS, F ^{[1
]}

PEARSON, JE ^{[1
]}

MANSOUR, MM ^{[1
]}

机构：

[1] UNIV TEXAS,CTR STUDIES STAT MECH & COMPLEX SYST,AUSTIN,TX 78712

来源：

JOURNAL OF CHEMICAL PHYSICS | 1990年 / 93卷 / 08期

关键词：

D O I：

10.1063/1.459568

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：

A microscopic computer experiment is set up to investigate the statistical properties of far from equilibrium homogeneous chemical systems undergoing instabilities. Sustained periodic behavior of limit cycle type is observed. Both the frequency and the amplitude of the oscillations are found to be in good agreement with the macroscopic description. A comparison with the stochastic theory of chemical systems based on master equation formalism is also carried out. The dynamical and static correlation functions obtained by these two procedures are in very good agreement. © 1990 American Institute of Physics.

引用

页码：5747 / 5750

页数：4

共 34 条

[1] CHEMICAL CHAOS - FROM HINTS TO CONFIRMATION [J].

ARGOUL, F ;

ARNEODO, A ;

RICHETTI, P ;

ROUX, JC ;

SWINNEY, HL .

ACCOUNTS OF CHEMICAL RESEARCH, 1987, 20 (12) :436-442

[2] VALIDITY OF MACROSCOPIC RATE-EQUATIONS IN EXOTHERMIC CHEMICAL-SYSTEMS [J].

BARAS, F ;

MANSOUR, MM .

PHYSICAL REVIEW LETTERS, 1989, 63 (21) :2429-2432

[3]

BIRD GA, 1976, MOL GAS DYNAMICS

[4] MOLECULAR-DYNAMICS STUDIES OF METASTABILITY AND NUCLEATION IN A NON-EQUILIBRIUM CHEMICAL-SYSTEM WITH MULTIPLE STEADY-STATES [J].

BOISSONADE, J .

PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS, 1982, 113 (03) :607-618

[5] MOLECULAR-DYNAMICS STUDIES OF LONG-RANGE AND SHORT-RANGE FLUCTUATIONS IN NONEQUILIBRIUM CHEMICAL-SYSTEMS [J].

BOISSONADE, J .

PHYSICS LETTERS A, 1979, 74 (3-4) :285-287

[6]

BOISSONALE J, 1981, NONLINEAR PHENOMENA

[7]

CASTETS V, IN PRESS

[8]

CICCOTTI G, 1986, MOL DYNAMICS SIMULAT

[9] GENERAL METHOD FOR NUMERICALLY SIMULATING STOCHASTIC TIME EVOLUTION OF COUPLED CHEMICAL-REACTIONS [J].

GILLESPIE, DT .

JOURNAL OF COMPUTATIONAL PHYSICS, 1976, 22 (04) :403-434

[10] EXACT STOCHASTIC SIMULATION OF COUPLED CHEMICAL-REACTIONS [J].

GILLESPIE, DT .

JOURNAL OF PHYSICAL CHEMISTRY, 1977, 81 (25) :2340-2361

← 1 2 3 4 →