Development of a New Alpha Function for the Peng–Robinson Equation of State: Comparative Study of Alpha Function Models for Pure Gases (Natural Gas Components) and Water-Gas Systems

Numerous modifications have been suggested for the temperature dependence of the attractive term of the Peng–Robinson equation of state (PR-EOS), through the alpha function. In this work, a new alpha function combining both exponential and polynomial forms is proposed. Pure-compound vapor pressures for different molecular species were fitted and compared using different alpha functions including the Mathias–Copeman and Trebble–Bishnoi alpha functions. The new alpha function allows significant improvements of pure compound vapor pressure predictions (about 1.2% absolute average percent deviations) for all the systems considered, starting from a reduced temperature of 0.4. In addition, a generalization of the classical Mathias–Copeman alpha function was proposed as a function of the acentric factor. These alpha functions were used for VLE calculations on water+various gases including gaseous hydrocarbons. A general procedure is preseInted to fit experimental VLE data. The corresponding thermodynamic approach is based on the Peng–Robinson equation of state with the above cited alpha functions. It includes the classical mixing rules for the vapor phase and a Henry’s law approach to treat the aqueous phase.