Document Detail


Monte Carlo simulation of osmotic equilibria.
MedLine Citation:
PMID:  21992281     Owner:  NLM     Status:  In-Data-Review    
Abstract/OtherAbstract:
We present a Metropolis Monte Carlo simulation algorithm for the Tpπ-ensemble, where T is the temperature, p is the overall external pressure, and π is the osmotic pressure across the membrane. The algorithm, which can be applied to small molecules or sorption of small molecules in polymer networks, is tested for the case of Lennard-Jones interactions.
Authors:
Sebastian Schreiber; Reinhard Hentschke
Publication Detail:
Type:  Journal Article    
Journal Detail:
Title:  The Journal of chemical physics     Volume:  135     ISSN:  1089-7690     ISO Abbreviation:  J Chem Phys     Publication Date:  2011 Oct 
Date Detail:
Created Date:  2011-10-13     Completed Date:  -     Revised Date:  -    
Medline Journal Info:
Nlm Unique ID:  0375360     Medline TA:  J Chem Phys     Country:  United States    
Other Details:
Languages:  eng     Pagination:  134106     Citation Subset:  IM    
Affiliation:
Fachbereich Mathematik und Naturwissenschaften, Bergische Universität, D-42097 Wuppertal, Germany.
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