Application of the SAFT-γ Mie group contribution equation of state to fluids of relevance to the oil and gas industry

Abstract The application of the SAFT-γ Mie group contribution approach [Papaioannou et al., J. Chem. Phys., 140 (2014) 054107] to the study of a range of systems of relevance to the oil and gas industry is presented. In particular we consider carbon dioxide, water, methanol, aromatics, alkanes, and their mixtures. Following a brief overview of the SAFT-γ Mie equation of state, a systematic methodology for the development of like and unlike group parameters relevant to the systems of interest is presented. The determination of group–group interactions entails a sequence of steps including: the selection of representative components and mixtures (in this instance carbon dioxide, water, methanol, aromatics, and alkanes); the definition of an appropriate set of groups to describe them; the collection of target experimental data used to estimate the group–group interactions; the determination of the group–group interaction parameters; and the assessment of the adequacy of the parameters and theoretical approach. The predictive capability of the SAFT-γ Mie group contribution approach is illustrated for a selection of mixtures, including representative examples of the simultaneous description of vapour–liquid and liquid–liquid equilibria, the densities of the coexisting phases, second derivative thermodynamic properties, and excess properties of mixing. Good quantitative agreement between the predictions and experimental data is achieved, even in the case of challenging mixtures comprising carbon dioxide and water, n-alkanes and water, and methanol and methane.