Novel procedure to determine coexistence lines by computer simulation. Application to hard-core Yukawa model for charge-stabilized colloids
1997; American Institute of Physics; Volume: 106; Issue: 11 Linguagem: Inglês
10.1063/1.473504
ISSN1520-9032
AutoresEvert Jan Meijer, Fouad El Azhar,
Tópico(s)Theoretical and Computational Physics
ResumoWe 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.
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