Abstract: Two bi-part combined models containing reaction equilibrium thermodynamic model and an equation of state (EoS) including cubic plus association (CPA) or modified Soave-Redlich-Kwong (SRK), were employed to correlate H₂S solubility in ionic liquids [emim][Lac], [bmim][Ac] and [emim][Pro]. RETM and CPA/mSRK are responsible for chemical and phase equilibria calculations, respectively. The RETM defines a complex formation reaction between an H₂S and two IL molecules into the liquid phase so that a complex in the form of H₂S(IL)₂ is probable to produce. On the other side, CPA/mSRK EoSs perform phase equilibria computations to find pressure and vapor phase concentrations. In the case of CPA, both of H₂S and the ionic liquids were considered as self-associating components which pursue 4C and 2B schemes, respectively. This model computes the pure IL parameters using experimental density data. In this work, critical properties were estimated through the modified Lydersen-Joback-Reid method, Eotvos and Guggenheim relations. Afterward, the binary systems were investigated by applying RETM. CPA presents average absolute deviations (AADs) equal to 2.41%, 13.42% and 3.52% for [emim][Lac], [bmim][Ac], and [emim][Pro], respectively. Moreover, the AADs obtained by mSRK are 3.75%, 5.07%, and 6.06%, respectively. As it is evident from the results, the combination of RETM with both CPA and mSRK EoSs will result in good correlation accuracy.

Key words: Solubility, Thermodynamics, Ionic liquids, CPA, RETM, mSRK

摘要： Two bi-part combined models containing reaction equilibrium thermodynamic model and an equation of state (EoS) including cubic plus association (CPA) or modified Soave-Redlich-Kwong (SRK), were employed to correlate H₂S solubility in ionic liquids [emim][Lac], [bmim][Ac] and [emim][Pro]. RETM and CPA/mSRK are responsible for chemical and phase equilibria calculations, respectively. The RETM defines a complex formation reaction between an H₂S and two IL molecules into the liquid phase so that a complex in the form of H₂S(IL)₂ is probable to produce. On the other side, CPA/mSRK EoSs perform phase equilibria computations to find pressure and vapor phase concentrations. In the case of CPA, both of H₂S and the ionic liquids were considered as self-associating components which pursue 4C and 2B schemes, respectively. This model computes the pure IL parameters using experimental density data. In this work, critical properties were estimated through the modified Lydersen-Joback-Reid method, Eotvos and Guggenheim relations. Afterward, the binary systems were investigated by applying RETM. CPA presents average absolute deviations (AADs) equal to 2.41%, 13.42% and 3.52% for [emim][Lac], [bmim][Ac], and [emim][Pro], respectively. Moreover, the AADs obtained by mSRK are 3.75%, 5.07%, and 6.06%, respectively. As it is evident from the results, the combination of RETM with both CPA and mSRK EoSs will result in good correlation accuracy.

关键词: Solubility, Thermodynamics, Ionic liquids, CPA, RETM, mSRK