TY - JOUR
T1 - A new activity coefficient model for the solution of molecular solute + ionic liquid
AU - Bai, Lihang
AU - He, Maogang
AU - Liu, Xiangyang
AU - Ye, Zheng
N1 - Publisher Copyright:
© 2019 Elsevier B.V.
PY - 2019/8/1
Y1 - 2019/8/1
N2 - Based on electrolyte non-random two-liquid (e-NRTL) equation, a new activity coefficient model is proposed for the solution of ionic liquid + molecular solute. In the new model, the sizes of particles have been taken into consideration by introducing volume elements into the new model. For easier application, the Pitzer-Debye-Hückel expression is cancelled in the new model, because ionic liquids work as solvents more frequently. To simplify the model, the assumptions (local electroneutrality and like-ion repulsion) have been made, which were adopted in Chen's e-NRTL model. As a result, the new model only needs 5 parameters like NRTL equation. Moreover, the new model can predict accurate results with fewer experiment data in comparison with NRTL for both totally miscible and partially miscible solutions, which has been proven with 19 kinds of solution.
AB - Based on electrolyte non-random two-liquid (e-NRTL) equation, a new activity coefficient model is proposed for the solution of ionic liquid + molecular solute. In the new model, the sizes of particles have been taken into consideration by introducing volume elements into the new model. For easier application, the Pitzer-Debye-Hückel expression is cancelled in the new model, because ionic liquids work as solvents more frequently. To simplify the model, the assumptions (local electroneutrality and like-ion repulsion) have been made, which were adopted in Chen's e-NRTL model. As a result, the new model only needs 5 parameters like NRTL equation. Moreover, the new model can predict accurate results with fewer experiment data in comparison with NRTL for both totally miscible and partially miscible solutions, which has been proven with 19 kinds of solution.
KW - Activity coefficient
KW - Ionic liquid
KW - Phase equilibrium
UR - https://www.scopus.com/pages/publications/85067980878
U2 - 10.1016/j.fluid.2019.04.016
DO - 10.1016/j.fluid.2019.04.016
M3 - 文章
AN - SCOPUS:85067980878
SN - 0378-3812
VL - 493
SP - 144
EP - 152
JO - Fluid Phase Equilibria
JF - Fluid Phase Equilibria
ER -