A new molecular thermodynamic model for multicomponent Ising lattice.
A new molecular thermodynamic model is developed for multicomponent Ising lattice based on a generalized nonrandom factor from binary system. Predictions of the nonrandom factor and the internal energy of mixing for ternary and quaternary systems match accurately with simulation results. Predictions of liquid-liquid phase equilibrium for ternary systems are in nearly perfect agreement with simulation results, and substantially improved from Flory-Huggins theory and the lattice-cluster theory. The model also satisfactorily correlates the experimental data of real ternary systems. The concise expression and the accuracy of the new model make it well suited for practical engineering applications.
Yang
Jianyong
J
State Key Laboratory of Chemical Engineering, East China University of Science and Technology, Shanghai 200237, China.
Xin
Qin
Q
Sun
Lei
L
Liu
Honglai
H
Hu
Ying
Y
Jiang
Jianwen
J