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Thermodynamic integration for lattice fluids

An alternative expression is obtained if we integrate d S from T = oo dovm to the desired temperature T — T that is [Pg.295]

Exjuations (5.229) (5.233) provide the basis for the thermod)niamic integration scheme employed in Section 5.8.4. However, it is worthwhile noting at this point that key quantities such as p and 14 in Eqs. (5.229)-(5.233) can be calculated readily as thermal averages of s and H, respectively. Th(W( grand canonical ensemble averages will be ( alcnlatcxl via GCEMC simulations described in Section 5.8.2. [Pg.296]


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