DOI: 10.1063/1.432627. A new Monte Carlo method for calculating surface tension

A new Monte Carlo method for calculating surface tension

10.1063/1.432627

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

A new Monte Carlo method for calculating the surface tension of a liquid is described. The method is based on a direct evaluation of the free energy required to create a surface, unlike earlier Monte Carlo calculations which evaluated the surface stress. It is applied to the 6:12 fluid in conditions close to the triple point for argon. The calculated surface tension agrees within statistical uncertainty with previous Monte Carlo estimates, but the statistical uncertainty of the present method is much lower. Agreement with experimental data for argon is not good, as should be expected; estimates of the effects of using a correct pair potential and particularly of including three-body interactions indicate that they would lead to good agreement.

Bibliography

Miyazaki, J., Barker, J. A., & Pound, G. M. (1976). A new Monte Carlo method for calculating surface tension. The Journal of Chemical Physics, 64(8), 3364â3369.

Authors 3

J. Miyazaki (first)
J. A. Barker (additional)
G. M. Pound (additional)

References 16 Referenced 152

10.1063/1.1747248 / J. Chem. Phys. (1949)
{'key': '2024020914020140900_r2', 'first-page': '311', 'volume': '56', 'year': '1952', 'journal-title': 'Z. Elektrochem.'} / Z. Elektrochem. (1952)
10.1063/1.1679447 / J. Chem. Phys. (1973)
{'key': '2024020914020140900_r4'}
10.1063/1.1676556 / J. Chem. Phys. (1971)
10.1063/1.1701689 / J. Chem. Phys. (1967)
10.1063/1.1681303 / J. Chem. Phys. (1974)
{'key': '2024020914020140900_r8'}
10.1063/1.1699114 / J. Chem. Phys. (1953)
10.1016/0031-8914(49)90119-6 / Physica (Utrecht) (1949)
{'key': '2024020914020140900_r11'}
10.1063/1.431041 / J. Chem. Phys. (1975)
10.1039/tf9666201097 / Trans. Faraday Soc. (1966)
10.1080/00268977100101821 / Mol. Phys. (1971)
10.1063/1.430685 / J. Chem. Phys. (1975)
{'key': '2024020914020140900_r15'}

Dates

Type	When
Created	22 years, 6 months ago (Feb. 27, 2003, 5:10 p.m.)
Deposited	1 year, 6 months ago (Feb. 9, 2024, 9:48 a.m.)
Indexed	5 days, 5 hours ago (Aug. 27, 2025, 11:57 a.m.)
Issued	49 years, 4 months ago (April 15, 1976)
Published	49 years, 4 months ago (April 15, 1976)
Published Print	49 years, 4 months ago (April 15, 1976)

Funders 0

None

BibTeX

@article{Miyazaki_1976, title={A new Monte Carlo method for calculating surface tension}, volume={64}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.432627}, DOI={10.1063/1.432627}, number={8}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Miyazaki, J. and Barker, J. A. and Pound, G. M.}, year={1976}, month=apr, pages={3364–3369} }

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