A novel fitted thermodynamic model for the capture of CO2 from flue gas by the hydrate method

Abstract

The hydrate-based gas separation for capturing CO2 from flue gas has the characteristics of low energy consumption, simple operation and convenience for the subsequent CO2 storage and utilization. In order to reduce the total cumulative deviation of multi-stage hydration reaction, it is of great importance to establish an accurate thermodynamic model. Based on the vdW–P + CPA model, therefore, we refitted the parameters of the thermodynamic model considering the association between CO2 and H2O. Firstly, the energy parameter α0.5 of H2O and CO2 are developed as the cubic function and the linear function of [1-(T/Tc)0.5], respectively. Then, the calculation parameters of Langmuir absorption coefficient of vdW–P model is refitted based on the temperature dependent binary interaction parameters kij. The following research results are obtained. First, when the novel fitted thermodynamic model is used to predict the density of saturated fluid, the average absolute deviation (AAD) of H2O drops from 1.84% to 0.08% and that of CO2 drops from 4.06% to 2.09%. Second, when it is used to predict the phase equilibrium pressure of the hydrate generated from pure CO2 and pure N2, the AAD is 0.86% and 0.82%, respectively. Third, when it is used to calculate the phase equilibrium condition of hydrate generated from flue gas with different compositions, the AAD is decreased from 15.16% to 5.02%. In conclusion, this novel fitted thermodynamic model is of higher accuracy and it, to some extent, can decrease the total accumulative deviation of multi-stage hydration reaction. The research results provide reference for the actual application of the hydrate-based gas separation for capturing CO2 from flue gas.