||FDMP: Fluid Dynamics & Materials Processing, Vol. 4, No. 2, pp. 113-124, 2008
||Full length paper in PDF format. Size = 191,713 bytes
||Potential energy; Equation of state; Asphaltene Precipitation
||In this study, the Onset of Asphaltene Precipitation is predicted by a modified Virial equation of state. The bases of quantum mechanics and statistical thermodynamics are used to evaluate the potential energy and intermolecular forces related to asphaltene molecules. The Virial equation of state is modified using group-contribution-methods for asphaltenes, which are assumed to be polymeric-like compounds consisting of aggregates of monodisperse asphaltene monomers. It is shown how the modified Virial equation of state with the Peneloux correction leads to estimate the molar volume and solubility parameter. These parameters are also compared successfully with results provided by the Soave-Redlich-Kwong equation of state. The proposed model clearly shows that the asphaltene density and solubility parameters depend on molecular weight and temperature. Some useful correlations among these parameters are introduced.