A computationally efficient approach to apply SAFT equation for CO2+H2O phase equilibrium calculation

by Akand Islam, Kamy Sepehrnoori, Tadeusz W. Patzek
Year: 2014


​Islam, Akand W., Kamy Sepehrnoori, and Tad W. Patzek. "A Computationally Efficient Approach to Applying the SAFT Equation for CO2+ H2O Phase Equilibrium Calculations." Journal of Solution Chemistry 43, no. 2 (2014): 241-254.


​The statistical associating fluid theory equation of state (EoS) is employed in a time efficient way for the correlation and prediction of vapor–liquid equilibrium of the CO2 + H2O binary system for the temperature (10–100 °C) and pressure (1–600 bar) ranges suitable for simulation of CO2 geologic sequestration. The effective number of segments and energy parameter are correlated with the reduced temperature. Simple mixing rules are applied to obtain binary interaction parameters. Assigning a fixed H2O composition in the mixing rule makes the phase equilibrium calculations relatively fast compared to other EoS’s. The results obtained by the model used were found to be in satisfactory agreement with the literature data.


SAFT CO2 + H2O Phase Equilibrium Geologic Sequestration Efficient Computation