A new theoretical model based on the local composition concept (TNRF-mNRTL model) was proposed to express the short-range contribution of the excess Gibbs energy for the solutions containing polymer and electrolyte. This contribution of interaction along with the long-range contribution of interaction (Pitzer-Debye-Hückel equation), configurational entropy of mixing (Flory-Huggins relation)...

The solubility of plutonium hydrous oxide (PuO2(am, hyd)) was investigated in the presence carbonate neutral to alkaline, dilute concentrated sodium nitrate (NaNO3) solutions. observed dependence Pu(IV) low medium concentration NaNO3 agreed with previously reported data and well reproduced by thermodynamic model curves, containing species \({\text{Pu(CO}}_{3} )_{4}^{4 - }\), )_{5}^{6 \({\text{P...

The interest in ionic liquids (ILs) as replacements for more hazardous solvents has been growing over the last years, especially industrial synthesis and liquid-liquid separations. Consequently, it is important to study their degree of dissociation (α), which quantifies ratio IL molecules dissociated into ions significantly influences viscosity, density, surface tension. In this work, ILs binar...

This paper deals with parameter estimability analysis and identification of the Pitzer model used in prediction thermodynamic properties phase equilibria electrolytic solutions. The method is based on orthogonalization a sensitivity matrix to rank unknown parameters from most estimable least estimable. Although obtained results are interesting, algorithm shows its limits since it local sensitiv...

The present work deals with the fractional crystallization of salts from seawater. New experimental data for sequence and liquid phase ion molalities aqueous model solutions that contain major seawater components are presented. For describing studied electrolyte solutions, Pitzer was used parameters adopted literature. This fluid property combined an equilibrium crystallization. comparison simu...

Accurate quantum mechanical partition functions and absolute free energies of H(2)O(2) are determined using a realistic potential energy surface [J. Koput, S. Carter, and N. C. Handy, J. Phys. Chem. A 102, 6325 (1998)] for temperatures ranging from 300 to 2,400 K by using Monte Carlo path integral calculations with new, efficient polyatomic importance sampling methods. The path centroids are sa...

The solubility of CO2 in the primary, secondary, tertiary and sterically hindered amine aqueous solutions at various conditions was studied. In the present work, the Modified Kent-Eisenberg (M-KE), the Extended Debye-Hückel (E-DH) and the Pitzer models were employed to study the solubility of CO2 in amine aqueous solutions. Two explicit equations are presented to evalu...

Introduction: Phoenix showed the presence of ~1% perchlorate in the landing site regolith [1]. This ion is associated to sodium and magnesium [2], making these compounds ideal candidates for liquid brines on the surface. In addition, hydration-dehydration cycles may control the humidity. We study the stability of perchlorates (liquids and salts) under Martian conditions using a combination of e...

We present a new and considerably extended parameterization of the thermodynamic activity coefficient model AIOMFAC (Aerosol Inorganic-Organic Mixtures Functional groups Activity Coefficients) at room temperature. AIOMFAC combines a Pitzer-like electrolyte solution model with a UNIFAC-based group-contribution approach and explicitly accounts for interactions between organic functional groups an...