Computational singular perturbation analysis of stochastic chemical systems with stiffness

JOURNAL OF COMPUTATIONAL PHYSICS

卷:335

Article

Wang, Lijin¹  Han, Xiaoying²  Cao, Yanzhao²  Najm, Habib N.³ 

[1] Univ Chinese Acad Sci, Sch Math Sci, 19 YuQuan Rd, Beijing 100049, Peoples R China

[2] Auburn Univ, Dept Math & Stat, 221 Parker Hall, Auburn, AL 36849 USA

[3] Sandia Natl Labs, POB 969,MS 9051, Livermore, CA 94551 USA

关键词: Computational singular perturbation;    Model reduction;    Stochastic chemical reaction systems;    Chemical Langevin equation;    Stochastic Davis Slcodje model;   

DOI  :  10.1016/j.jcp.2017.01.040

来源: Elsevier

【 摘 要 】

Computational singular perturbation (CSP) is a useful method for analysis, reduction, and time integration of stiff ordinary differential equation systems. It has found dominant utility, in particular, in chemical reaction systems with a large range of time scales at continuum and deterministic level. On the other hand, CSP is not directly applicable to chemical reaction systems at micro or meso-scale, where stochasticity plays an non negligible role and thus has to be taken into account. In this work we develop a novel stochastic computational singular perturbation (SCSP) analysis and time integration framework, and associated algorithm, that can be used to not only construct accurately and efficiently the numerical solutions to stiff stochastic chemical reaction systems, but also analyze the dynamics of the reduced stochastic reaction systems. The algorithm is illustrated by an application to a benchmark stochastic differential equation model, and numerical experiments are carried out to demonstrate the effectiveness of the construction. (C) 2017 Elsevier Inc. All rights reserved.

【 授权许可】

Free