Novel Procedure to Determine Coexistence Lines by Computer Simulation. Application to Hard-Core Yukawa Model for Charge-Stabilized Colloids

Copyright © (1997) American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics

We describe a novel procedure to determine a phase coexistence line by computer simulation. The procedure combines elements of the Clausius-Clapeyron integration technique with free-energy difference calculations. As an application, the phase diagram of a simple hard-core Yukawa model of a charge-stabilized colloid, which exhibits liquid-solid and solid-solid phase coexistence lines, is computed.

By: Evert Jan Meijer, Fouad El Azhar (Univ. Libre de Bruxelles, Belgium)

Published in: Journal of Chemical Physics, volume 106, (no 11), pages 4678-83 in 1997

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