The study deals with modeling the vapor pressures of(solvent + salt) systems depending on the linear solvation energy relation(LSER) principles. The LSER-based vapor pressure model clarifies the simultaneous impact of...The study deals with modeling the vapor pressures of(solvent + salt) systems depending on the linear solvation energy relation(LSER) principles. The LSER-based vapor pressure model clarifies the simultaneous impact of the vapor pressure of a pure solvent estimated by the Xiang-Tan equation, the solubility and solvatochromic parameters of the solvent and the physical properties of the ionic salt. It has been performed independently two structural forms of the generalized solvation model, i.e. the unified solvation model with the integrated properties(USMIP) containing nine physical descriptors and the reduced property-basis solvation model. The vapor pressure data of fourteen(solvent + salt) systems have been processed to analyze statistically the reliability of existing models in terms of a log-ratio objective function. The proposed vapor pressure approaches reproduce the observed performance relatively accurately, yielding the overall design factors of 1.0643 and1.0702 for the integrated property-basis and reduced property-basis solvation models.展开更多
This paper regards the activity coefficient of salt in mixed solvents with const ant composition as a function of vapor-liquid equilibrium data by means of terna ry Gibbs-Duhem equation. A verification method includin...This paper regards the activity coefficient of salt in mixed solvents with const ant composition as a function of vapor-liquid equilibrium data by means of terna ry Gibbs-Duhem equation. A verification method including two independent criteri a for vapor-liquid equilibrium data of salt-containing system is proposed on the bases of thermodynamics and the Debye-Hückel electrolytical solution theory.A ccording to the criteria every experimental point can be verified by the calcula tion of its vapor-liquid equilibrium data.Not only is this method rigorous in th e theory,but also very convenient in the application.Under the condition of fix ing the ratio between two solvents it can be used for vapor-liquid equilibrium d ata verification of various salt-containing systems,whether the systems are isot hemic or isobaric,aqueous or non-aqueous,up to saturated or non-saturated.展开更多
基金the Research Fund of Istanbul University for the technical support of this study.Project number 33167
文摘The study deals with modeling the vapor pressures of(solvent + salt) systems depending on the linear solvation energy relation(LSER) principles. The LSER-based vapor pressure model clarifies the simultaneous impact of the vapor pressure of a pure solvent estimated by the Xiang-Tan equation, the solubility and solvatochromic parameters of the solvent and the physical properties of the ionic salt. It has been performed independently two structural forms of the generalized solvation model, i.e. the unified solvation model with the integrated properties(USMIP) containing nine physical descriptors and the reduced property-basis solvation model. The vapor pressure data of fourteen(solvent + salt) systems have been processed to analyze statistically the reliability of existing models in terms of a log-ratio objective function. The proposed vapor pressure approaches reproduce the observed performance relatively accurately, yielding the overall design factors of 1.0643 and1.0702 for the integrated property-basis and reduced property-basis solvation models.
基金河南省科委自然科学基金 (No 9940 3 190 0 )河南省教委自然科学基金 (No 2 0 0 0 15 0 2 8)资助项目
文摘This paper regards the activity coefficient of salt in mixed solvents with const ant composition as a function of vapor-liquid equilibrium data by means of terna ry Gibbs-Duhem equation. A verification method including two independent criteri a for vapor-liquid equilibrium data of salt-containing system is proposed on the bases of thermodynamics and the Debye-Hückel electrolytical solution theory.A ccording to the criteria every experimental point can be verified by the calcula tion of its vapor-liquid equilibrium data.Not only is this method rigorous in th e theory,but also very convenient in the application.Under the condition of fix ing the ratio between two solvents it can be used for vapor-liquid equilibrium d ata verification of various salt-containing systems,whether the systems are isot hemic or isobaric,aqueous or non-aqueous,up to saturated or non-saturated.
