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Free-energy calculations Gibbs-Duhem integration

The Gibbs-Duhem integration method excels in calculations of solid-fluid coexistence [48,49], for which other methods described in this chapter are not applicable. An extension of the method that assumes that the initial free energy difference between the two phases is known in advance, rather than requiring it to be zero, has been proposed by Meijer and El Azhar [51]. The procedure has been used in [51] to determine the coexistence lines of a hard-core Yukawa model for charge-stabilized colloids. [Pg.322]


See other pages where Free-energy calculations Gibbs-Duhem integration is mentioned: [Pg.360]    [Pg.361]    [Pg.424]    [Pg.168]    [Pg.315]    [Pg.321]    [Pg.609]    [Pg.171]    [Pg.171]    [Pg.278]    [Pg.121]   
See also in sourсe #XX -- [ Pg.421 ]




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Gibbs-Duhem

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Integral calculation

Integral energy

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