Application of ideal adsorbed solution theory (IAST) in the prediction of mixed-gas equilibria

Abstract Ni-gallate demonstrated notable CO2 adsorption compared to CH4, showcasing its significance in the context of CO2/CH4 separation. However, there have been no studies in predicting mixed-gas equilibria using the ideal adsorbed solution theory (IAST) approach for various CO2/CH4 compositions. Therefore, the reported unary adsorption isotherms of CO2 and CH4 were fitted with models provided in Python package, in which Langmuir model demonstrated the lowest root mean square error (RMSE) with the most applicable parameter values. The prediction of mixed-gas equilibria was computed by varying CO2/CH4 compositions at three different temperatures. The prediction of mixed-gas equilibria exhibited lower loadings compared to the reported unary adsorption isotherms of CO2 and CH4 due to the competitive adsorption. Nevertheless, the IAST selectivity values proposed that Ni-gallate prone to adsorb CO2 over CH4 and this is essential for CO2/CH4 separation process. Therefore, Ni-gallate can be suggested as a promising alternative adsorbent in separation of CO2/CH4 mixture.

UTP CRIS Expert