Towards a computational chemical potential for nonequilibrium steady-state systems
We explore an approach to derive a computable chemical potential analog for thermostatted steady-state systems arbitrarily far from equilibrium. Although our method is not rigorous, it is based on theoretical and numerical evidence and exploits analogies with Widom's method widely used in compu...
| Veröffentlicht in: | Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics. - 1993. - 60(1999), 5 Pt A vom: 30. Nov., Seite 5522-7 |
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| Format: | Aufsatz |
| Sprache: | English |
| Veröffentlicht: |
1999
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| Zugriff auf das übergeordnete Werk: | Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics |
| Schlagworte: | Journal Article |
| Zusammenfassung: | We explore an approach to derive a computable chemical potential analog for thermostatted steady-state systems arbitrarily far from equilibrium. Although our method is not rigorous, it is based on theoretical and numerical evidence and exploits analogies with Widom's method widely used in computer simulations of equilibrium fluids. We obtain two formulas, one for steady states and one for the transient region. Despite being analogous to the equilibrium expression, the steady-state formula can only be used for approximate calculations. Possessing less obvious characteristics, we present representative calculations for the transient approach and discuss its numerical feasibility |
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| Beschreibung: | Date Completed 16.05.2002 Date Revised 28.07.2019 published: Print Citation Status PubMed-not-MEDLINE |
| ISSN: | 1063-651X |