A new theory model based on the local composition concept (TNRF-modified NRTL (TNRF-mNRTL) model) was developed to express the short-range contribution of the excess Gibbs energy for the solutions containing polymer and electrolyte. An equation represented the activity coefficient of solvent was derived from the proposed excess Gibbs energy equation. The short-range contribution of interaction ...

BACKGROUND Brownian dynamics (BD) simulations can be used to study very large molecular systems, such as models of the intracellular environment, using atomic-detail structures. Such simulations require strategies to contain the computational costs, especially for the computation of interaction forces and energies. A common approach is to compute interaction forces between macromolecules by pre...

In this work, the eSAFT-VR Mie equation of state (EoS) is extended to low relative permittivity, non-aqueous solutions. The effect using different permittivity relations for electrolyte solutions studied, ranging from experimentally measured values a salt-composition independent permittivity. Furthermore, approaches characteristic diameters in Debye-Hückel and Born terms presented. EoS reparame...

Using the mixed solvents, (water +ethanol + propanol), the solubility of CdF2 was determined byevaporating method at 25° C. The results showed that the sollbility, s, of CdF2 decreases bydecreasing the dielectric constant of the mixed solvent .Once the solubility of CdF2 was determined,the concentration solubility product, Ksp(c)=4s3, was calculated .Furthermore ,by estimating the meanactivity ...

The statistical mechanical approach to Casimir problems for dielectrics separated by a vacuum gap turns out to be compact and effective. A central ingredient of this method is the effect of interacting fluctuating dipole moments of the polarizable particles. At arbitrary temperature the path-integral formulation of quantized particles, developed by Høye-Stell and others, is needed. At high temp...

Using Solvent Evaporating and Atomic Emission Spectrophotometric methods, the solubility of Ba (NO3 )2 inwater at 25.0 ° C was determined. Activity coefficients, f+ and f_ of Bat) and N0i(aq) ions in the saturatedsolution at 25.0 ° C were estimated upon the extended Debye —Hiickel theory and then, the constantK'sp =[Ba2+1f+ [NO-3 ]2 f 2 was evaluated. Comparing the value of thermodynamic solubi...