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Extension of SAFT-γ to model the phase behavior of CO2+ionic liquid systems
Fluid Phase Equilibria ( IF 2.6 ) Pub Date : 2021-03-20 , DOI: 10.1016/j.fluid.2021.113026
Seyedeh-Saba Ashrafmansouri , Sona Raeissi

A group contribution procedure, on the basis of SAFT-γ equation, is extended to cover new families of imidazolium-based ionic liquids (ILs), with either the [MeSO3], [MeSO4], [EtSO4] or [CF3SO3] anions. The IL groups of the SAFT-γ equation were fit to IL density data at temperatures from 293.15 to 393.15 K. Pressures varied up to 60 MPa. The groups corresponding to the CO2+IL systems were optimized by the solubility data of CO2 in the ILs. The binary system data covered temperatures from 273.15 to 413.15 K, with pressures going up 27 MPa. In addition to the accuracy of estimations, the strength of SAFT-γ in predictions was investigated by estimating both the density of ILs, and the bubble-point pressures for some mixtures of CO2+ILs which were not considered in the fitting process. The average absolute relative deviations in density and bubble pressure predictions did not exceed 2.78% and 4.97%, respectively.



中文翻译:

扩展SAFT-γ以模拟CO 2 +离子液体系统的相行为

基于SAFT-γ方程的基团贡献程序已扩展为覆盖新的咪唑基离子液体(ILs)系列,包括[MeSO 3 ],[MeSO 4 ],[EtSO 4 ]或[CF 3 SO 3 ]阴离子。SAFT-γ方程的IL组适合于293.15至393.15 K温度下的IL密度数据。压力变化高达60 MPa。对应于CO基团2 + IL系统由CO的溶解度数据优化2在IL中。二元系统数据涵盖了从273.15到413.15 K的温度,压力上升了27 MPa。除了估算的准确性外,还通过估算拟合过程中未考虑的IL 2密度和某些CO 2 + IL混合物的泡点压力来研究SAFT-γ在预测中的强度。密度和气泡压力预测的平均绝对相对偏差分别不超过2.78%和4.97%。

更新日期:2021-03-26
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