Document Detail

On the origins of approximations for stochastic chemical kinetics.
MedLine Citation:
PMID:  16268689     Owner:  NLM     Status:  MEDLINE    
This paper considers the derivation of approximations for stochastic chemical kinetics governed by the discrete master equation. Here, the concepts of (1) partitioning on the basis of fast and slow reactions as opposed to fast and slow species and (2) conditional probability densities are used to derive approximate, partitioned master equations, which are Markovian in nature, from the original master equation. Under different conditions dictated by relaxation time arguments, such approximations give rise to both the equilibrium and hybrid (deterministic or Langevin equations coupled with discrete stochastic simulation) approximations previously reported. In addition, the derivation points out several weaknesses in previous justifications of both the hybrid and equilibrium systems and demonstrates the connection between the original and approximate master equations. Two simple examples illustrate situations in which these two approximate methods are applicable and demonstrate the two methods' efficiencies.
Eric L Haseltine; James B Rawlings
Related Documents :
23848679 - Mass dependence of the soret coefficient for atomic diffusion in condensed matter.
24663629 - Model laser damage precursors for high quality optical materials.
22440239 - A new approach in gamma-ray scanning of rotating drums containing radioactive waste.
22751399 - Determination of unit normal vectors of aspherical surfaces given unit directional vect...
17358929 - Stochastic background of gravitational waves from hybrid preheating.
24702369 - Shifts of a resonance line in a dense atomic sample.
18636759 - Simulating equilibrium surface forces in polymer solutions using a canonical grid method.
24718239 - Simultaneous measurement of in-plane and out-of-plane displacements using pseudo-wigner...
19411219 - Theoretical analysis of a ceramic plate thickness-shear mode piezoelectric transformer.
Publication Detail:
Type:  Journal Article; Research Support, N.I.H., Extramural; Research Support, Non-U.S. Gov't    
Journal Detail:
Title:  The Journal of chemical physics     Volume:  123     ISSN:  0021-9606     ISO Abbreviation:  J Chem Phys     Publication Date:  2005 Oct 
Date Detail:
Created Date:  2005-11-04     Completed Date:  2007-07-11     Revised Date:  2007-12-03    
Medline Journal Info:
Nlm Unique ID:  0375360     Medline TA:  J Chem Phys     Country:  United States    
Other Details:
Languages:  eng     Pagination:  164115     Citation Subset:  IM    
Division of Chemistry and Chemical Engineering 210-41, California Institute of Technology, Pasadena, California 91125, USA.
Export Citation:
APA/MLA Format     Download EndNote     Download BibTex
MeSH Terms
Chemistry, Physical / methods*
Computer Simulation
Markov Chains
Models, Chemical
Models, Statistical
Stochastic Processes
Grant Support

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine

Previous Document:  A regularized and renormalized electrostatic coupling Hamiltonian for hybrid quantum-mechanical-mole...
Next Document:  Efficient exact exchange approximations in density-functional theory.