Prediction of Vapor-Liquid Equilibria Using CEOS /GE Models

Prediction of Liquid-Liquid Equilibria of Binary Systems Containing Alcohols Using EoS-GE Models

PERFORMANCE OF PREDICTIVE MODELS IN PHASE EQUILIBRIA OF COMPLEX ASSOCIATING SYSTEMS: PC-SAFT AND CEoS/GE

Cubic equations of state combined with excess Gibbs energy predictive models (like UNIFAC) and equations of state based on applied statistical mechanics are among the main alternatives for phase equilibria prediction involving polar substances in wide temperature and pressure ranges. In this work, the predictive performances of the PC-SAFT with association contribution and Peng-Robinson (PR) co...

Pressure Dependence of Liquid Vapor Pressure: An Improved Gibbs Prediction

A new model for the vapor phase of a pressurized liquid called "the cluster model: which is originally introduced in this work, along with an accurate equation of state for the liquid phase called the LIR, is used to derive an accurate equation for the vapor pressure of liquid as a function of external pressure. The chemical Potential of both phase have been found to be in good agreement wi...

Polymer Gel-Liquid Equilibria Using Uniface-FV

Based on Gibbs-Duhem law and using UNIFAC-FV computer algorithm, the activity of polymer component in polymer-solvent systems is determined. The variation of activity of components with concentration at different temperatures are used to find the equilibrium concentration, UCST, and LCST for the systems. Also by generalization of the method, Gel-Liquid equilibrium is studied in some three c...

Prediction of the Liquid Vapor Pressure Using the Artificial Neural Network-Group Contribution Method

In this paper, vapor pressure for pure compounds is estimated using the Artificial Neural Networks and a simple Group Contribution Method (ANN–GCM). For model comprehensiveness, materials were chosen from various families. Most of materials are from 12 families. Vapor pressure data of 100 compounds is used to train, validate and test the ANN-GCM model. Va...

New Local Composition-Equation of State Mixing Rules for High Pressure Vapor-Liquid Equilibria Using EOS/AE

In this study using Equation of State/ Helmholtz excess energy function,  EOS/AE, two new local composition-Equation-of State mixing rules, LCEOS1 and LCEOS2 were developed in which the energy interaction parameters were expressed in terms of attractive and repulsive parameters of the cubic equation of state. The EOS/AE models are applied for equilibrium calculation of nat...