A new simulation method for the determin
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DezsΓ³ Boda; JΓ‘nos Liszi; IstvΓ‘n Szalai
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Article
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1996
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Elsevier Science
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English
β 582 KB
A new simulation method is introduced for the determination of the vapour-liquid phase separation of pure fluids in the grand canonical ensemble. It is based on the third-order Taylor series of the pressure with respect to the reciprocal temperature term ([3 = 1/kT) and the configurational chemical