Simulation of H۲S Solubility in Three Acetate-based Ionic liquids Using PC-SAFT EoS together with RETM

In current work, perturbed chain-statistical associating fluid theory (PC-SAFT) equation of state (EoS) together with the reaction equilibrium thermodynamic model (RETM) was employed to correlate H۲S solubility in three carboxylate ionic liquids including [emim][Ace], [bmim][Ace], and [hmim][Ace]. The RETM proposes a chemical reaction approach between ionic liquid (IL) (B) and H۲S (A) in the liquid phase. Moreover, PC-SAFT EoS contributes to VLE calculations. All the H۲S and the investigated ILs, as self-associating components, are assumed to follow the ۲B association scheme. Five adjustable variables of PC-SAFT EoS for pure components were calculated using experimental data of liquid density and vapor pressure. Afterward, the binary systems were investigated by applying RETM. Indeed, two nested loops calculate the liquid phase, total pressure, and vapor phase concentrations, respectively. For these systems, an AAD% of ۲.۲۹%, ۳.۰۹%, and ۷.۶۵% was obtained for H۲S–[emim][Ace], H۲S–[bmim][Ace], and H۲S–[hmim][Ace] systems, respectively.

کلیدواژه ها:

Acetate anion ، Acid gas solubility ، Ionic Liquid ، PC-SAFT EoS ، RETM