Equations of state for the calculation of fluid-phase equilibria

• Published in: AIChE journal Vol. 46; no. 1; pp. 169 - 196
• Main Authors: Wei, Ya Song, Sadus, Richard J.
• Format: Journal Article
• Language: English
• Published: Hoboken Wiley Subscription Services, Inc., A Wiley Company 01.01.2000; Wiley Subscription Services; American Institute of Chemical Engineers
• Subjects: Chemical thermodynamics; Chemistry; Exact sciences and technology; General and physical chemistry; General. Theory; Thermodynamic model; Phase equilibrium; Equations of state
• ISSN: 0001-1541; 1547-5905
• DOI: 10.1002/aic.690460119

Progress in developing equations of state for the calculation of fluid‐phase equilibria is reviewed. There are many alternative equations of state capable of calculating the phase equilibria of a diverse range of fluids. A wide range of equations of state from cubic equations for simple molecules to theoretically‐based equations for molecular chains is considered. An overview is also given of work on mixing rules that are used to apply equations of state to mixtures. Historically, the development of equations of state has been largely empirical. However, equations of state are being formulated increasingly with the benefit of greater theoretical insights. It is now quite common to use molecular simulation data to test the theoretical basis of equations of state. Many of these theoretically‐based equations are capable of providing reliable calculations, particularly for large molecules.