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Theory and Monte Carlo simulation of physical clusters in the imperfect vapor
Abstract
A formal physical cluster theory for an imperfect gas, valid for an arbitrary definition of a ``physical cluster,'' is described. The role of the definition of the physical cluster is stressed. For a particular definition of the physical cluster, which may be appropriate in nucleation theory, the Helmholtz free energy of 13-, 43-, 60-, 70-, 80-, 87-, and 100-atom argon clusters is calculated in the classical limit for temperatures ranging from absolute zero to 100°K using Monte Carlo techniques. It is found that a cluster's free energy is almost independent of its definition provided that the definition is reasonable and the temperature is sufficiently low. The results are compared with the predictions using the harmonic approximation.
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Citations
Cites
Equation of State Calculations by Fast Computing Machines
Metropolis, N., Rosenbluth, A. W., Rosenbluth, M. N., Teller, A. H., & Teller, E. (1953) · The Journal of Chemical Physics · doi:10.1063/1.1699114 · Cited by 37,192
Cited by
What is "liquid"? Understanding the states of matter
Barker, J. A., & Henderson, D. (1976) · Reviews of Modern Physics · doi:10.1103/revmodphys.48.587 · Cited by 2,104
Self-citationStructural properties of nanoclusters: Energetic, thermodynamic, and kinetic effects
Baletto, F., & Ferrando, R. (2005) · Reviews of Modern Physics · doi:10.1103/revmodphys.77.371 · Cited by 1,811
Theory of first-order phase transitions
Binder, K. (1987) · Reports on Progress in Physics · doi:10.1088/0034-4885/50/7/001 · Cited by 1,076
Statistical theory of nucleation, condensation and coagulation
Binder, K., & Stauffer, D. (1976) · Advances in Physics · doi:10.1080/00018737600101402 · Cited by 699
Homogeneous nucleation: theory and experiment
Oxtoby, D. W. (1992) · Journal of Physics: Condensed Matter · doi:10.1088/0953-8984/4/38/001 · Cited by 674
Metadata
- Authors
- Lee, J. K., Barker, J. A., & Abraham, F. F.
- Venue
- The Journal of Chemical Physics
- Publisher
- AIP Publishing
- Published
- 1973-04-15
- Volume
- 58
- Issue
- 8
- Pages
- 3166-3180
- ISSN
- 0021-9606 (ISSN-L)
- 1089-7690
- OpenAlex
- W1985550898
- Cited by
- 420
- References
- 1
- FWCI
- 14.04
- Type
- journal article
- Language
- en
- Open access
- closed
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- Lee, J. K., Barker, J. A., & Abraham, F. F. (1973). Theory and Monte Carlo simulation of physical clusters in the imperfect vapor. The Journal of Chemical Physics. https://doi.org/10.1063/1.1679638
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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.
