The DOI matches its Crossref record; 2 of the 2 references it cites were found in a registry or an index.
Computer simulations in the Gibbs ensemble
Open accessAbstract
In this article we demonstrate that the Gibbs ensemble and the canonical ensemble are equivalent in the thermodynamic limit. Furthermore, we discuss some interesting aspects of the method when applied close to the critical point. We show that for a finite number of particles the Gibbs ensemble leads to a lower value of the critical temperature of the finite system than that obtained by standard N,V,T simulations with the same number of particles. This is due to entropic considerations. Simulations in the Gibbs ensemble, because it allows for fluctuations in the number of particles and in the volume of the sub-systems, may lead to a better estimate of the critical temperature of the infinite system.
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Citations
Cites
Handbook of Mathematical Functions
McQuarrie, D. A. (1966) · American Journal of Physics · doi:10.1119/1.1972842 · Cited by 40,433
Computer Simulation of Liquids
Allen, M. P., & Tildesley, D. J. (2017) · doi:10.1093/oso/9780198803195.001.0001 · Cited by 20,945
Cited by
Computer Simulation of Liquids
Allen, M. P., & Tildesley, D. J. (2017) · doi:10.1093/oso/9780198803195.001.0001 · Cited by 20,945
Chen, B., Potoff, J. J., & Siepmann, J. I. (2001) · The Journal of Physical Chemistry B · doi:10.1021/jp003882x · Cited by 835
Novel scheme to study structural and thermal properties of continuously deformable molecules
Frenkel, D., Mooij, G. C. A. M., & Smit, B. (1992) · Journal of Physics: Condensed Matter · doi:10.1088/0953-8984/4/12/006 · Cited by 462
Self-citationShah, M. S., Tsapatsis, M., & Siepmann, J. I. (2015) · Langmuir · doi:10.1021/acs.langmuir.5b03015 · Cited by 46
Metadata
- Authors
- Smit, B., De Smedt, P., & Frenkel, D.
- Venue
- Molecular Physics
- Publisher
- Informa UK Limited
- Published
- 1989-11
- Volume
- 68
- Issue
- 4
- Pages
- 931-950
- ISSN
- 0026-8976 (ISSN-L)
- 1362-3028
- OpenAlex
- W2156532851
- Cited by
- 351
- References
- 2
- FWCI
- 12.08
- Type
- journal article
- Language
- en
- Open access
- green
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- Smit, B., De Smedt, P., & Frenkel, D. (1989). Computer simulations in the Gibbs ensemble. Molecular Physics. https://doi.org/10.1080/00268978900102641
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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
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