A SAFT Equation of State for the Quaternary H2S-CO2-H2O-NaCl system

Phase equilibria and thermodynamic properties of the quaternary H2S-CO2-H2O-NaCl system were studied using a statistical associating fluid theory (SAFT)-based equation of state (EOS). The understanding of the physical-chemical properties of this system is critical for predicting the consequences of co-injection of CO2 and H2S into geological formations (geological carbon sequestration) as an option for mitigating the global warming trend. Previous studies of the subsystems within this quaternary have provided many parameters for the EOS. In this study, the subsystems of H2S-CO2 and H2S-H2O-NaCl were investigated in order to obtain the cross parameters for the EOS. For the binary system H2S-CO2, cross association between the site H in H2S and the site O in CO2 was allowed and temperature-independent parameters were used to describe this cross association. Meanwhile, a temperature-dependent binary interaction parameter was used to adjust the cross dispersive energy for this binary system. For the H2S-H2O-NaCl system, one temperature-dependent cross parameter was allowed in order to adjust the cross dispersive energy between H2S and ions of Na+ and Cl-. All cross parameters were fitted to the reliable phase equilibrium experimental data. Densities were predicted and compared with available experimental results. Using the EOS developed in this study, we predicted equilibrium composition in both liquid and vapor phases, the equilibrium pressures at a given composition of the H2O-rich phase in electrolyte solutions with NaCl varying from 0 to 4 mol/kgH2O, and the aqueous solution densities. These predictions provide information and guidance for future experiments regarding the thermodynamic properties and phase behaviors in the H2S-CO2-H2O-NaCl system.