Published 2017 | Version v1
Journal article

Computational singular perturbation analysis of stochastic chemical systems with stiffness

  • 1. University of Chinese Academy of Sciences, Beijing (China)
  • 2. Auburn University, Auburn, AL (United States)
  • 3. Sandia National Laboratory (SNL-CA), Livermore, CA (United States)

Description

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. Furthermore, 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.

Availability note (English)

Available from http://www.osti.gov/pages/biblio/1343056; DOE Accepted Manuscript full text, or the publishers Best Available Version will be available free of charge after the embargo period

Additional details

Publishing Information

Journal Title
Journal of Computational Physics
Journal Volume
335
Journal Issue
C
Journal Page Range
p. 404-425
ISSN
0021-9991

INIS

Country of Publication
United States
Country of Input or Organization
United States
INIS RN
48058996
Subject category
S97: MATHEMATICAL METHODS AND COMPUTING;
Descriptors DEI
DIFFERENTIAL EQUATIONS; LANGEVIN EQUATION; PERTURBATION THEORY; STOCHASTIC PROCESSES
Descriptors DEC
EQUATIONS

Optional Information