In this work, five different thermodynamic models for correlating the fugacity of water and Tetrahydrofuran (THF) in liquid phase in equilibrium with hydrogen hydrate phase, based on the van der Waals–Platteeuw (vdW-P) statistical thermodynamic model are used and the equilibrium pressures of hydrogen hydrate at different temperatures are calculated. The dissociation pressure of binary hydrogen ...

−− The aim of this work is to simulate and analyze an extractive distillation process (extractive distillation and recovery columns) for the separation of Tetrahydrofuran (THF)-Water azeotropic mixture using Aspen Plus® and Aspen Split simulators. Calculation of vapor liquid equilibrium of Tetrahydrofuran–Water–Entrainer system was done using the NRTL model, which binary interaction parameters ...

Isobaric vapor-liquid equilibrium measurements are reported for binary mixture of 2-Methyltetrahydrofuran and Cumene at 97.3 kPa. The data were obtained using a vapor recirculating type (modified Othmer's) equilibrium still. The mixture shows slight negative deviation from ideality. The system does not form an azeotrope. The experimental data obtained in this study are thermodynamically consist...

This paper describes a properties-optimization work for the working fluids in NH3 / ionic liquid (ILs) based singleeffect absorption heat pumps. The optimum parameters of the IL can be used as criteria in screening task-specified ILs, which play the role of absorbents, in absorption heat pumps. First, a 8-parameter thermodynamic model to calculate performances of a single-effect absorption heat...

The liquid-liquid equilibrium (LLE) phase boundaries were determined experimentally for the ternary systems containing refined sunflower oil, methanol, and one of ten potential cosolvents at 308.2 K under atmospheric pressure by using cloud point method. n-Butylamine was found to be one of the best cosolvents, which could substantially enhance the miscibility between the oil and methanol. The L...

Isobaric vapor-liquid equilibrium measurements are reported for binary mixture of 2-Methyltetrahydrofuran and Cumene at 97.3 kPa. The data were obtained using a vapor recirculating type (modified Othmer's) equilibrium still. The mixture shows slight negative deviation from ideality. The system does not form an azeotrope. The experimental data obtained in this study are thermodynamically consist...

A mathematical model has been developed for describing the dynamic operation of the Nformylmorpholine extractive distillation column and the corresponding solvent recovery column in the benzene extraction plant. The NRTL equation was used to calculate the equilibrium and thermodynamic properties of the mixtures. The validity of the model in terms of temperature, pressure and split fraction was ...

A new theoretical model based on the local composition concept (TNRF-mNRTL model) was proposed to express the short-range contribution of the excess Gibbs energy for the solutions containing polymer and electrolyte. This contribution of interaction along with the long-range contribution of interaction (Pitzer-Debye-Hückel equation), configurational entropy of mixing (Flory-Huggins relation)...

Experimental determination of solubility and ternary phase diagram of chiral compound are of tedious and time consuming tasks, and in many cases, there is not enough experimental data for different enantiomeric compositions to access the experimental ternary phase diagram. Using thermodynamic models with predictive capability, having less dependency on experimental data, affords a great advanta...

A novel approach for enclosing all heterogeneous and reactive azeotropes in multi-component mixtures is presented. The thermodynamic conditions for azeotropy form a system of nonlinear equations. A deterministic global optimization approach is introduced in which the global optimization problem may contain multiple global minima and there is a one-to-one correspondence between each global minim...