Characterization of Asphaltene Using Potential Energy and Nanocalculation

The basics of quantum mechan ics and statistical thermodynamics were used topredict the potent ial energy and intermolecular f orces 0/ asphaltene molecules. the parametersassociat ed with the chemical stru cture were also estimated / 0 1' a specific asphaltene molecul e topredict the mie poten tial functio n. based on the structural results, a new f orm 0/ the virial eoswith peneloux correction was develop ed to estimate the density, solubility parameter and acorrection factor that accounts /01' the stru ctural effect 0/asp haltene. in this way , asph altenes wereconsidered as polymer-like comp ounds cons isting , of aggregat es of a monodisp erse. finally, threenew correlations were developed to pr edict the key parameters 0/ asphaltenes, namely structuralcoef ficient, density and solubility as fu nctions 0/ temp erature and molecular weight . thecorrelations facilitat e the calculation 0/ the numerical methods 0/ these parameters. theseparameters were also compared successfu lly with the results found by the soave redlich kwongequation 0/ state. meanwhile, atfirst the stage asphaltene was extracted and the roughness 0/ theasphaltene coating in different rpm was studied by using 0/ image analysis confocal microscopy.