Binary Infinite Dilute Activity Coefficients Research Articles

Calculation of ternary Si-Fe-Al phase equilibrium in vacuum distillation by molecular interaction volume model

The vacuum distillation of aluminum from Si-Fe-Al ternary alloy with high content of Al is studied by a molecular interaction volume model (MIVM) in this paper. The vapor-liquid phase equilibrium of the Si-Fe-Al system in vacuum distillation has been calculated using only the properties of pure components and the activity coefficients. A significant advantage of the model lies in its ability to predict the thermodynamic properties of liquid alloys using only binary infinite dilution activity coefficients. The thermodynamic activities and activity coefficients of components of the related Si-Fe, Si- Al and Fe-Al binary and the Si-Fe-Al ternary alloy systems are calculated based on the MIVM. The computational activity values are presented graphically, and evaluated with the reported experiment data in the literature, which shows that the prediction effect of the proposed model is of stability and reliability.

Prediction of thermodynamic properties of the C–Fe–Co–Ni solid solutions by binary infinite dilute activity coefficients

Abstract A novel molecular interaction volume model proposed by the author can be used to describe the thermodynamic properties of a multicomponent solid solution system using its binary interaction parameters only. A derivation of the model for a common quaternary system has been shown as a compensation of its general expression. The predicted activity coefficients from the model are in good agreement with the experimental data of the C–Fe–Co–Ni solid solution. It shows that the model is of better predictability and reliability in comparison with a fourth-degree polynomial formulism because it has a good physical basis.

A comparison of the molecular interaction volume model with the subregular solution model in multicomponent liquid alloys

The molecular interaction volume model (MIVM) is a two-parameter model, meaning it can predict the thermodynamic properties in a multicomponent liquid alloy system using only the coordination numbers calculated from the ordinary physical quantities of pure liquid metals and the related binary infinite dilute activity coefficients, γ ∞ i and γ ∞ j , which avoids somewhat adjustable fitting for the binary parameters of B ji and B ij. In comparison with the subregular solution model (SRSM), the prediction effect of the MIVM is of better stability and safety because it has a good physical basis.

A thermodynamic model for solid solutions and its application to the C–Fe–Co, C–Fe–Ni and Mn–Cr–Pt solid dilutions

Based on the free volume theory and the lattice model, the partition functions of pure solids and their mixtures were expressed. This resulted in the establishment of a thermodynamic model for solid solutions. The model naturally combines the excess entropy and excess enthalpy of a solution by means of new expressions of the configurational partition functions of solids and their mixtures derived from statistical thermodynamics, which is approximate to real solid solutions, that is S E≠0 ( V E≠0) and H E≠0. It can describe the thermodynamic properties of partially miscible systems and predict the thermodynamic properties in a multicomponent solid solution system using only the related binary infinite dilute activity coefficients. The predicted activity coefficients from the model are in good agreement with the experimental data of the ternary solid dilutions. This shows that the prediction effect of the proposed model is of better stability and reliability because it has a good physical basis.

Prediction of the thermodynamic properties of binary continuous solid solutions by infinite dilute activity coefficients

A new thermodynamic model based on the free volume theory and the lattice model was proposed for solid solutions. A significant advantage of the model lies in its ability to predict the thermodynamic properties of solid solutions using only the binary infinite dilute activity coefficients and the predicted values are in good agreement with their experimental data. This shows that the model with a good physical basis is reliable, convenient and economic.

Prediction of the thermodynamic properties of solutes in Pb-based dilute solutions

The coordination numbers in the Molecular Interaction Volume Model (MIVM) can be calculated from common physical quantities for pure metals. A significant advantage of the model lies in its ability to predict thermodynamic properties of solutes in Pb-based dilute solutions using only binary infinite dilute activity coefficients, and the predicted values are in good agreement with the experimental data for Pb-based dilute solutions. This shows that the model is reliable, convenient and economic.

Prediction of the thermodynamic properties of quaternary liquid alloys by modified coordination equation

The coordination numbers in the molecular interaction volume model (MIVM) can be calculated from common physical quantities of pure metals. A significant advantage of the model lies in its ability to predict thermodynamic properties of quaternary liquid alloys using only binary infinite dilute activity coefficients, and the predicted values are in good agreement with the experimental data of quaternary liquid alloys, which show that the model is reliable, convenient and economic.

Prediction of the thermodynamic properties of quinary liquid alloys by modified coordination equation

The coordination numbers in the Molecular Interaction Volume Model (MIVM) can be calculated from the common physical quantities of pure matters. A significant advantage of the model lies in its ability to predict the thermodynamic properties of quinary liquid alloys using only the binary infinite dilute activity coefficients. The predicted values are in good agreement with the experimental data of quinary liquid alloys, which show that the model is reliable, convenient and economic.

Prediction of the thermodynamic properties of multicomponent liquid alloys by binary infinite dilute activity coefficients

Prediction of the thermodynamic properties of multicomponent liquid alloys by binary infinite dilute activity coefficients

Representation of phase equilibria using a modified form of the extended uniquac model

Binary infinite-dilution activity coefficients and LLE data for 14 systems (five aqueous systems, five alcohol + hydrocarbon systems, acetonitrile + n-hexane, and three nitroethane + hydrocarbon systems) are simultaneously correlated with a modification of the extended uniquac model, which also reproduces well binary and ternary VLE data for mixtures containing methanol + n-pentane bordering on liquid-liquid immiscibility.