In this work, a Genetic Algorithm boosted Least Square Support Vector Machine model by a set of linear equations instead of a quadratic program, which is improved version of Support Vector Machine model, was used for estimation of 98 pure compounds second virial coefficient. Compounds were classified to the different groups. Finest parameters were obtained by Genetic Algorithm method ...

Most reservoir fluids contain heavy paraffinic compounds that may precipitate as a solid or solid like material called wax if the fluid is cooled down. Wax precipitation is a phenomenon of considerable importance in oil industry. An increase in aggregation results in enhanced oil viscosity. This however causes significant negative effects on production, transportation and processing of crude oi...

The virial coefficients can be obtained from statistical mechanics in connection with the intermolecular potentials. The intermolecular potential of polyatomic molecules is usually assumed to consist of a spherically symmetric component plus a contribution due to asphericaity of the molecular charge distribution. In this study, the second virial coefficients have been calculated for N2...

2014 We report results of light scattering study of interactions in a mixture of a surfactantstabilized colloid and hydrogenated polyisoprene polymer. With a virial expansion the smallangle scattering intensity from the mixture is calculated as a function of colloid and polymer concentrations. Using the obtained formula we measured the mutual excluded volume between a polymer molecule and a col...

We determine the second and third virial coefficients B2 and B3 for the Gaussian charge polarizable model (GCPM) as a function of temperature over the range 210-723 K. The overlap sampling implementation of Mayer sampling molecular simulation is applied to calculate the values, obtaining results to a precision that ranges from 0.1% for B2 to an average of 1% for B3. These calculated values comp...

During protein crystallization and purification, proteins are commonly found in concentrated salt solutions. The exact interplay of the hydration shell, the salt ions, and protein–protein interactions under these conditions is far from being understood on a fundamental level, despite the obvious practical relevance. We have studied a model globular protein (bovine serum albumin, BSA) in concent...