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Gas hydrates are important for issues that include flow assurance in oil and gas industries, carbon sequestration, natural gas transport, seawater desalinization, and purification of contaminated water. To investigate those fields and applications, temperature and pressure in which hydrates are formed must be determined. This can be done through hydrate formation and/or dissociation experiments, as well as through thermodynamic models, empirical correlations, and computational methods. In this work, the performance of the PC-SAFT in modeling the fluid phase in hydrate phase equilibrium was investigated. Its results were compared to the Peng-Robinson equation of state and to the model proposed by Klauda and Sandler. For the water molecule, different association schemes were considered. For the hydrate phase, the van der Waals and Platteuw (vdWP) equation was used. The effect of additional shells in the estimation of the Langmuir constant was assessed. Finally, equations for water fugacity in hydrate phase, as a function of temperature, were proposed. These equations were intended to be used with the PC-SAFT equation of state, and both linear or quadratic equations were considered. For comparison, when possible the software CSMGem was used to compute the equilibrium conditions. The use of the PC-SAFT EOS, along with the proposed equations, resulted in a better prediction of the equilibrium pressure as a function of temperature.

Modelagem do equilíbrio de fases da formação de hidratos utilizando equações volumétricas de estado.