A New Extended UNIQUAC Model for Solid-Liquid Equilibria of Organic Solvents+iPBu-1 Systems

Advancing the chemical engineering fundamentals

Thermodynamics (T2-1P)

Dr Farzaneh Feyzi
Iran University of Science and Technology
Chemical Engineering
Chemical Engineering Department
Iran University of Science and Technology,
Narmak,
Tehran 1684613114
Islamic Republic of Iran

MSc Hossein Salimnezhad
Iran University of Science and Technology
Chemical Engineering
Chemical Engineering
Iran University of Science and Technology,
Narmak,
Tehran, 1684613114
Iran
Islamic Republic of Iran

Keywords: UNIQUAC model, solid-liquid equilibria, iPBu-1, polymer solutions

The UNIQUAC model is extended to predict the solid-liquid equilibria of isotactic crystalline poly (1-butene), iPBu-1, in different organic solvents. Free volume effects have been considered using a free volume term, along with the combinatorial and residual contributions in the original UNIQUAC model. To account for branching in the monomer structure of the polymer, a correction factor has been applied to the surface parameter q(n) of the UNIQUAC equation, which has significantly improved the accuracy of the model. This new activity coefficient model has been applied to 14 binary solvent+iPBu-1 systems. The total average absolute deviation of the iPBu-1 mole fraction in the polymer solution was 22.89% for UNIQUAC model versus 17.21% for UNIQUAC-FV model, and 15.54% for the model finally proposed in this work.

Presented Monday 17, 13:30 to 15:00, in session Thermodynamics (T2-1P).