Comparison between Modeling of Cetirizine Solubility Using Different Approaches: Semi-Empirical Density Based Correlations vs. Peng-Robinson EoS

Reduction of Reservoir Fluid Equilibrium Calculation for Peng-Robinson EOS with Zero Interaction Coefficients

For some of the EOS models the dimension of equilibrium problem can be reduced. Stability and difficulties in implementation are among the problems of flash calculation. In this work, a new reduction technique is presented to prepare a reduced number of equilibrium equations. Afterwards, a number of appropriate solution variables are selected for the prepared equation system to solve the equati...

Surface Tension Prediction of n-Alkanes by a Modified Peng-Robinson Equation of State Using the Density Functional Theory

Through this study, the ability of a modified Peng-Robinson (MPR) equation of state in predicting the surface tension of n-alkanes based on the density functional theory approach was investigated and compared with other studies. The interfacial layer thickness and the density profile were calculated simultaneously at different temperatures from triple point to near critical point using the modi...

New Method for Calculation Mixing Rule and Modification Semi-empirical Models for Solubility Modeling in Supercritical Solvent

The critical properties of a solute are required for modeling of the solubility by the equation of state. For many compounds, the critical properties are not available. So, group contribution method is utilized as a common method to estimate these properties. But, it leads to the consecutive errors in calculations of the solubility modeling. In this study, Soave-Redlish-Kowang (SRK) and Peng-Ro...

Modification of the Peng-Robinson Equation of State (Generalization)

A modification of Peng-Robinson equation is described wherein in the parameter b is expressed as a linear function of temperature. The modified equation is then applied to a series of light hydrocarbons and refrigerants, and predicted values for vapor pressure, saturated vapor volume, saturated liquid volume and the heat of evaporation are compared with the corresponding experimental data. ...

a sequential formulation for compositional reservoirs simulation using peng robinson equation of state