Thermodynamics and Solubility of Electrolytes in Mixed Solvent Systems at High Temperatures

Abstract

A model was proposed (J. Phys. Chem. B201211690339042, DOI: ) for a priori prediction of thermodynamic properties and solubility for ionic solutes in mixed solvent systems up to high temperatures and pressures over the whole composition range of the cosolvent. For input, the proposed model requires only the data at a reference temperature and available solvent auxiliary data. A comparison of the predicted solubility with the corresponding literature data indicates good agreement in all cases to well within the uncertainties of the experimental data. Also, the stoichioetric activity coefficient values are estimated up to 473.15 K. These stoichiometric activity coefficients, over the complete range of mole fraction of the cosolvent, are then extended to all concentrations (0 ≤ m ≤ m sat), and the results are compared with the available data in the literature. The comparison of results with literature shows good agreement.

Current Practices and Continuing Needs in Thermophysical Properties for the Chemical Industry

“…In the Special Issue, Djamali reviews calculations performed using a standard-state property model that requires a smaller number of parameters for extending the models to higher temperatures. 67 A different class of engineering electrolyte models is formed by electrolyte EOSs. Over the past four decades, a variety of electrolyte EOS have been proposed.…”

“…Alternative models offer advantages for neutral aqueous solutes (Sedlbauer et al) or in the high-temperature, lower-density region (Lvov et al). In the Special Issue, Djamali reviews calculations performed using a standard-state property model that requires a smaller number of parameters for extending the models to higher temperatures …”

“…63 Articles by Lira et al, 46 Lira et al, 48 Fouad et al, 64 and Elliott 65 describe recent developments regarding Wertheim association theory. These are followed by articles on multisolvent electrolytes phase equilibrium by Wang et al, 111 Djamali, 67 and Yang et al, 68 physical property models for adsorption and nanopore, 69,70 molecular simulations for bioseparations, 66 mesoscale modeling of micellization and adsorption of surfactants, 71 use of micelle formation for bioseparations, 72 and non-electrolyte product properties. 73…”

Self-Consistent Implementation of a Solvation Free Energy Framework to Predict the Salt Solubilities of Six Alkali Halides

“…Thus, understanding and quantifying thermophysical properties, such as fluid phase equilibria, thermal, volumetric, and interfacial properties, are highly beneficial for these designs. Although a majority of the processes occur at low to moderate concentrations, salt solubilities and higher temperatures or pressures are, nevertheless, common in many industrial systems. , Salt solubility is an important property because it determines the maximum number of salts that may dissolve at a given temperature or pressure. Furthermore, it is related to the chemical potential of the electrolyte in the solution phase and its pure crystalline state, thus playing a crucial role in establishing equilibrium.…”

Virtual Special Issue on Chemical Engineering under Extreme Conditions

“…Ever wondered what happens to a polymer under extreme pressures found at the deepest point in the ocean? Or how chemicals behave under extreme temperatures found in fires and boiling liquids? − This special issue includes a suite of exciting discoveries made under extreme conditions.…”