Thermodynamic Modeling of Carbon Dioxide Solubility in Aqueous Methyl Di Ethanolamine Using Cubic Plus Association Equation of State (CPA)

Document Type : Research Article

Authors

Department of Chemical Engineering, Faculty of Petroleum, Gas and Petrochemical Engineering, Persian Gulf University, Bushehr, I.R. IRAN

Abstract

In this work, Vapor-Liquid Equilibrium (VLE) of the 3-component system composed of carbon dioxide (1), water (2), and methyl diethanolamine (3) has been modeled by the cubic plus association equation of state in a wide range of temperatures (313 –433 K), pressures (0.775 –4,930 kPa), and methyl diethanolamine wt% (5 –75). The 3-component system composed of carbon dioxide, water, and methyl diethanolamine was modeled by two different approaches. In the first approach, binary interaction coefficient between carbon dioxide and methyl diethanolamine was set equal to zero and energy and volume of association between carbon dioxide and methyl diethanolamine were optimized. In the second approach, the average energy of association between carbon dioxide and methyl diethanolamine at different temperature and amine wt% that was obtained in the first approach was used and volume of association and binary interaction between carbon dioxide and methyl diethanolamine were optimized. In both approaches, carbon dioxide has been considered as two association schemes: 1) as an association molecule with 3B and 4C association schemes, 2) as a non-association molecule. The results obtained in this work showed a good compatibility with the experimental data for this 3-component system. Comparison the results between this work and the Clegg-Pitzer and N-Wilson-NRF models reveals that the cubic plus association model leads to more convincing results than both of them. Furthermore, results obtained from the 4C association scheme for carbon dioxide in the cubic plus association equation of state shows a lesser error compared to 3B association scheme and to non-association scheme.

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