Evaluating surface tension using grand-canonical transition-matrix Monte Carlo simulation and finite-size scaling

Jeffrey R. Errington
Phys. Rev. E 67, 012102 – Published 28 January 2003
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Abstract

This Brief Report describes an approach for determining the surface tension of a model system that is applicable over the entire liquid-vapor coexistence region. At the heart of the method is a technique for determining coexistence properties that utilize transition probabilities of attempted Monte Carlo moves during a grand canonical simulation. Finite-size scaling techniques are implemented to determine the infinite system surface tension from a series of finite-size simulations. To demonstrate the method, the surface tension of the Lennard-Jones fluid is determined at temperatures ranging from the triple point to the critical point.

  • Received 13 August 2002

DOI:https://doi.org/10.1103/PhysRevE.67.012102

©2003 American Physical Society

Authors & Affiliations

Jeffrey R. Errington*

  • Department of Chemical Engineering, University at Buffalo, The State University of New York, Buffalo, New York 14260-4200

  • *Electronic address: jerring@buffalo.edu

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Vol. 67, Iss. 1 — January 2003

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