MSA-NRTL model for the description of the thermodynamic properties of electrolyte solutions

Literature Information

Publication Date 2002-08-08
DOI 10.1039/B204841H
Impact Factor 3.676
Authors

J.-P. Simonin, O. Bernard, W. Kunz


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Abstract

The mean spherical approximation (MSA) approach for electrolyte solutions is combined with a modified non-random two-liquid (NRTL) approach. The resulting model is suitable for a description of the thermodynamic properties of electrolyte-multisolvent systems. The ability of this MSA-NRTL model is investigated by examining activity and osmotic coefficients of binary and ternary electrolyte solutions. Especially for non-aqueous solutions, the model is superior to standard semi-empirical calculations used in the chemical industry.

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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
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Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

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