Document Detail


Master equation for a bistable chemical system with perturbed particle velocity distribution function.
MedLine Citation:
PMID:  22463173     Owner:  NLM     Status:  Publisher    
Abstract/OtherAbstract:
We present a modified master equation for a homogeneous gaseous reactive system which includes nonequilibrium corrections due to the reaction-induced perturbation of the particle velocity distribution function. For the Schlögl model, the modified stochastic approach predicts nonequilibrium-induced transitions between different dynamical regimes, including the transformation of a monostable system into a bistable one, and vice versa. These predictions are confirmed by the comparison with microscopic simulations using the direct simulation Monte Carlo method. Compared to microscopic simulations of the particle dynamics, the modified master equation approach proves to be much more efficient.
Authors:
P Dziekan; A Lemarchand; B Nowakowski
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Publication Detail:
Type:  JOURNAL ARTICLE     Date:  2012-2-21
Journal Detail:
Title:  Physical review. E, Statistical, nonlinear, and soft matter physics     Volume:  85     ISSN:  1550-2376     ISO Abbreviation:  -     Publication Date:  2012 Feb 
Date Detail:
Created Date:  2012-4-2     Completed Date:  -     Revised Date:  -    
Medline Journal Info:
Nlm Unique ID:  101136452     Medline TA:  Phys Rev E Stat Nonlin Soft Matter Phys     Country:  -    
Other Details:
Languages:  ENG     Pagination:  021128     Citation Subset:  -    
Affiliation:
Institute of Physical Chemistry, Polish Academy of Sciences, Kasprzaka 44/52, 01-224 Warsaw, Poland.
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