Topic: Physicochemical properties of some Ester + Alkane mixtures and their molecular interactions.
In the present research the physical properties such as density, viscosity and speed of sound for 24 binary liquid mixtures of esters (Ethyl formate, Methyl acrylate, Methyl methacrylate, Butyl acetate, Pentyl acetate and Isobutyl isobutyrate ) with each containing alkanes [login to view URL], Decane, Dodecane and Tridecane have been measured at 303.15, 308.15, 313.15K at atmospheric pressure. From the experimental densities the excess volumes VE have been determined. Using experimental viscosities the deviation in viscosities ??, the excess Gibbs free energy of activation of viscous flow ?G*E were evaluated, while from density and speed of sound values of the deviation in speeds of sound ?u, excess isentropic compressibility KsE, deviation in isentropic compressibility ?Ks , intermolecular free length Lf , internal pressure ?i, free volume Vf , specific acoustic impedence Z and their related excess functions (L_f^E, V_f^E, ?_i^E , ZE ) were evaluated. Each set of these excess or deviation properties has been fitted to Redlich- Kister polynomial equation to determine the coefficients and the standard errors. Further the variations of these properties with composition have been used to interpret the nature and extent of intermolecular interactions in the investigated binary mixtures. Further the viscosity-mole fraction data pairs were used to test the several correlating viscosity models with fitting parameters. The ability of these different empirical models to predict mixing viscosities was also analysed.
Requires assistance for Molecular modelling.
He will provide experimental results and we need to put those results in 8 models which will throw results as 1 variable, 2 variables or 3 variables. Thereafter, there will be statistical analysis will be required where the experimental output and the equation output will be compared for statistical deviation.
Graphs/Tables to be plotted as well.