MODELING AND CALCULATIONS OF LIQUID-VAPOR INTERFACIAL PROPERTIES

Van der Waals classical mean field theory has been applied for modeling and calculation of liquid-vapor interfacial properties of 25 systems using Redlich-Kwong (RK), Soave-Redlich-Kwong (SRK), and Peng-Robinson (PR) equations of state. Volume shift correction as well as the critical pressure correction methods were successfully applied in this work to obtain better agreement between experimental and calculated data. Classical mean field models of the type introduced here are known to have their limitations, and the predictions of surface tension and interfacial region thickness for the models are not expected to be in a perfect match with the experimental data. These models calculate interfacial tension and interfacial region thickness for pure fluids with satisfactory results comparable to the much more sophisticated methods such as molecular dynamic simulation. The proposed formulation based on the RK equation of state showed the best agreement between experimental and calculated values of interfacial tension

کلیدواژه ها:

Classical Mean Field Theory ، Equations of State ، Interfacial Region ، Surface Tension ، Vapor-Liquid Equilibria