Modeling the Solubility of Carbon Dioxide and 1,1,1,2-Tetrafluoroethane in Ionic Liquids Using the van der Waals and Generic Redlich–Kwong Equations of State

In this study, a thermodynamic model has been used to determine the solubility of carbon dioxide in an aqueous solution which is the combination of methyldiethanolamine (MDEA) and aminoethylethanolamine (AEEA). The physical equilibriums have been considered between the liquid and vapor phases and chemical equilibrium in the liquid phase. The SAFT-HR equation of state has been used to specify the fugacity coefficients of the components in the vapor phase. The liquid phase is considered as an electrolyte solution besides; the extended UNIQUAC has been applied to figure out the activity coefficients. The bubble point calculation has been used in this research. This method includes two main loops. Calculations related to chemical equilibrium are performed in the interior loop and the ones associated with phase equilibrium are done in the exterior loop. The solubility of carbon dioxide has been predicted by the optimized parameters of the model in the temperature range of 308.2–368.2 K. It has been calculated that the absolute average relative deviations of the model are 16.65, 19.33, 28.91 and 19.99 in the calculation of partial pressure of carbon dioxide in various loadings at the temperatures of 308.2, 328.2, 343.2 and 368.2 K.

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The comparative modeling of solubility of carbon dioxide in amine solutions using SAFT-HR and PC-SAFT equation of state

Yazdi

Najafloo

Sakhaeinia

et al. 2023

MGC

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In this paper, we applied PC-SAFT and SAFT-HR equations of state so as to reproduce the solubility of carbon dioxide in aqueous diethanolamine solution. By using these equations, we have been able to model the solubility of carbon dioxide in aqueous amine solution in more than 350 experimental data points with wide range of amine molar concentration (0.01–0.12), temperature (300 K –478 K), carbon dioxide partial pressure (0.0001 KPa –5473 KPa), and carbon dioxide loading (0.04 –1.1). Ternary systems including water, carbon dioxide and diethanolamine have also been modeled by PC-SAFT and SAFT-HR equations of state based on bubble pressure algorithm. Binary interaction parameters are set to zero to show the genuine capability of equations of state in reproducing such experimental data. Provided modeling results have been obtained from MATLAB R2019b software for PC-SAFT equation of state are less deviated with experimental data. Overall average relative deviation of SAFT-HR and PC-SAFT are 45.452% and 4.374% respectively which show that PC-SAFT is a robust equation of state in predicting the solubility data of carbon dioxide in aqueous alkanolamine solutions.

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Modeling the Solubility of Carbon Dioxide and 1,1,1,2-Tetrafluoroethane in Ionic Liquids Using the van der Waals and Generic Redlich–Kwong Equations of State

Cited by 3 publications

References 60 publications

Solubility prediction of CO2 in ionic liquids under subcritical and supercritical carbon dioxide conditions by the adaptive neuro-fuzzy inference system

Solubility prediction of CO2 in ionic liquids under subcritical and supercritical carbon dioxide conditions by the adaptive neuro-fuzzy inference system

Modeling the solubility of carbon dioxide in the MDEA + AEEA aqueous solution using the SAFT-HR equation of state and extended UNIQUAC model

The comparative modeling of solubility of carbon dioxide in amine solutions using SAFT-HR and PC-SAFT equation of state

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