We present here phase equilibria calculations of polyethylene solutions in different solvents as obtained with two versions of the SAFT equation of state, soft-SAFT and PC-SAFT. The objective of this work is twofold: to check the accuracy of the soft-SAFT equation in providing reliable polymer solutions behavior and to propose a methodology from which systematic studies on polymer solutions can...

A molecular model for carbon dioxide is presented, and the parameters of the Lennard-Jones sites, the bond length, and the quadrupole moment are optimized to experimental vapor-liquid equilibrium data. The resulting molecular model shows mean unsigned deviations to the experiment over the whole temperature range from triple point to critical point of 0.4% in saturated liquid density, 1.8% in va...

The simulation of reactive distillation processes requires binary phase equilibrium data and information about the reaction kinetics and equilibrium. The phase equilibrium data for the binary reacting sub-systems are difficult to measure experimentally since the products of reaction affect the binary equilibrium as soon as they are formed. A novel apparatus has been constructed to measure these...

Title of dissertation: THE NATURE OF ASYMMETRY IN FLUID CRITICALITY Jingtao Wang, Doctor of Philosophy, 2006 Dissertation directed by: Professor Mikhail A. Anisimov Institute for Physical Science and Technology and Department of Chemical and Biomolecular Engineering This dissertation deals with an investigation of the nature of asymmetry in ‡uid criticality, especially for vapor-liquid equilibr...

A new molecular model for formic acid is proposed which favorably describes vapor-liquid equilibrium properties in the full temperature range. The geometry of the model was determined by quantum chemical calculations of the cis-conformer. The model is rigid and consists of anisotropic united atom Lennard-Jones sites and point charges, so that it requires relatively little computational effort.

The prediction of phase equilibria for hydrocarbon/water blends in separators, is a subject considerable importance chemical processes. Despite its relevance, there are still pending questions. Among them, the correct number phases. While stability analysis using Gibbs Free Energy mixing and NRTL model, provide good understanding with calculation issues, when HYSYS V9 Aspen Plus software, this ...