Modeling of H2S absorption in some ionic liquids with carboxylate anions using modified HKM plus association EoS together with RETM

Abstract

Abstract In current work, mHKM-CPA EoS together with the RETM was employed to correlate H2S absorption into five carboxylate ionic liquids, including 1-ethyl-3-methylimidazolium acetate ([emim][Ace]), 1-butyl-3-methylimidazolium acetate ([bmim][Ace]), 1-hexyl-3-methylimidazolium acetate ([hmim][Ace]), 1-ethyl-3-methylimidazolium lactate ([emim][Lac]) and 1-ethyl-3-methylimidazolium propionate ([emim][Pro]). The RETM proposes a chemical reaction between IL and H2S so that the liquid phase concentrations may be obtained by solving the model. Moreover, mHKM-CPA EoS contributes to VLE calculations. In the model, H2S considered as associating component with 4 association sites while the ILs assumed as non-self-associating compounds with one electron donor/acceptor sites. Fourteen adjustable variables of mHKM-CPA EoS for pure components were calculated using experimental liquid density and vapor pressure data. Afterward, binary systems were correlated by applying RETM. Indeed, two nested loops calculate the liquid phase, total pressure, and vapor phase concentrations, respectively. The parameters of the pure ILs were calculated with maximum AAD% below 0.3. Moreover, the binary results present 4.41 as the overall AAD% for 317 data points. Furthermore, a comparison between the results of the used model with those of the SRK-CPA was performed to show the capability of the mHKM-CPA EoS. As the outputs show, the model has a good ability to correlate the H2S solubility in the ILs concerning the classic SRK-CPA EoS.