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https://hdl.handle.net/2440/87381
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Type: | Journal article |
Title: | Cavity formation and the drying transition in the Lennard-Jones fluid |
Author: | Huang, D.M. Chandler, D. |
Citation: | Physical review E: Statistical physics, plasmas, fluids, and related interdisciplinary topics, 2000; 61(2):1501-1506 |
Publisher: | American Physical Society |
Issue Date: | 2000 |
ISSN: | 1063-651X 1550-2376 |
Statement of Responsibility: | David M. Huang and David Chandler |
Abstract: | By simulation and theory, we study the probability of observing N molecular centers within molecular sized volumes for a Lennard-Jones fluid near liquid-vapor coexistence. For large volumes and small N, the probability distribution differs markedly from Gaussian. The free energy per unit surface area to form empty volumes (i.e., cavities) is a rapidly varying function of the radius for small cavities. It becomes constant for large volumes. The source of these behaviors is the occurrence of drying (i.e., solvent depletion) at the cavity surface. The crossover to drying occurs on microscopic length scales, with significant density depletion found for cavities with radii of the order of two or more Lennard-Jones diameters. Reasonable agreement is found between the simulation results and the theory developed by Lum, Chandler, and Weeks [J. Phys. Chem. B 103, 4570 (1999)]. |
Rights: | ©2000 The American Physical Society |
DOI: | 10.1103/PhysRevE.61.1501 |
Published version: | http://dx.doi.org/10.1103/physreve.61.1501 |
Appears in Collections: | Aurora harvest 7 Chemistry and Physics publications |
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File | Description | Size | Format | |
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hdl_87381.pdf | Published version | 246.16 kB | Adobe PDF | View/Open |
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