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Novel procedure to determine coexistence lines by computer simulation. Application to hard-core Yukawa model for charge-stabilized colloids

par Meijer, Evert-Jan ;El Azhar, Fouad
Référence The Journal of Chemical Physics, 106, 11, page (4678-4683)
Publication Publié, 1997-03

Article révisé par les pairs

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Résumé :

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. © 1997 American Institute of Physics.