A two parameters equation of state (EOS) for nonaqueous electrolyte solutions system has been developed. The equation is in terms of Helmholtz free energy and incorporated with results of low density expansion of non-...A two parameters equation of state (EOS) for nonaqueous electrolyte solutions system has been developed. The equation is in terms of Helmholtz free energy and incorporated with results of low density expansion of non-primitive mean spherical approximation. The EOS was tested for experimental data reported in literatures of 9 nonaqueous single electrolyte solutions of which the temperature was 298.15 K, and it also has a good predictive capability for nonaqueous electrolyte solutions at different temperature in this work. The comparisons with EOSs published earlier by other researchers in literatures are carried out in detail.展开更多
Based on statistical mechanics, a review of recent theoretical studies of real electrolyte solutions is presented from three aspects, namely, molecular simulation, mean spherical approximation (MSA), and perturbation ...Based on statistical mechanics, a review of recent theoretical studies of real electrolyte solutions is presented from three aspects, namely, molecular simulation, mean spherical approximation (MSA), and perturbation theory. Recent advances in studies of three kinds of electrostatic potentials of mean force, three kinds of internal energies (ion-ion, ion-dipole, and dipole-dipole interactions), and three kinds of electro-lyte models (primitive, non-primitive, and solvent primitive models) are introduced. The advantages and dis-advantages between primitive and non-primitive models, and between MSA and perturbation theory are dis-cussed. Some new equations of state (EOSs) based on MSA and perturbation theory for real electrolyte so-lutions are introduced. The one-Yukawa EOS and the two-Yukawa EOS for charged colloid systems are presented.展开更多
文摘A two parameters equation of state (EOS) for nonaqueous electrolyte solutions system has been developed. The equation is in terms of Helmholtz free energy and incorporated with results of low density expansion of non-primitive mean spherical approximation. The EOS was tested for experimental data reported in literatures of 9 nonaqueous single electrolyte solutions of which the temperature was 298.15 K, and it also has a good predictive capability for nonaqueous electrolyte solutions at different temperature in this work. The comparisons with EOSs published earlier by other researchers in literatures are carried out in detail.
基金the Fundamental Research Fund of Tsinghua University of China (No. JZ 2002003)
文摘Based on statistical mechanics, a review of recent theoretical studies of real electrolyte solutions is presented from three aspects, namely, molecular simulation, mean spherical approximation (MSA), and perturbation theory. Recent advances in studies of three kinds of electrostatic potentials of mean force, three kinds of internal energies (ion-ion, ion-dipole, and dipole-dipole interactions), and three kinds of electro-lyte models (primitive, non-primitive, and solvent primitive models) are introduced. The advantages and dis-advantages between primitive and non-primitive models, and between MSA and perturbation theory are dis-cussed. Some new equations of state (EOSs) based on MSA and perturbation theory for real electrolyte so-lutions are introduced. The one-Yukawa EOS and the two-Yukawa EOS for charged colloid systems are presented.
