| Monte Carlo simulation of osmotic equilibria. | |
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MedLine Citation:
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PMID: 21992281 Owner: NLM Status: In-Data-Review |
Abstract/OtherAbstract:
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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. |
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Authors:
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Sebastian Schreiber; Reinhard Hentschke |
Publication Detail:
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Type: Journal Article |
Journal Detail:
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Title: The Journal of chemical physics Volume: 135 ISSN: 1089-7690 ISO Abbreviation: J Chem Phys Publication Date: 2011 Oct |
Date Detail:
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Created Date: 2011-10-13 Completed Date: - Revised Date: - |
Medline Journal Info:
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Nlm Unique ID: 0375360 Medline TA: J Chem Phys Country: United States |
Other Details:
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Languages: eng Pagination: 134106 Citation Subset: IM |
Affiliation:
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Fachbereich Mathematik und Naturwissenschaften, Bergische Universität, D-42097 Wuppertal, Germany. |
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From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine
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