Application of molecular interaction volume model for predicting the Ca activity coefficients in Si Ca binary and Si Ca Pb ternary alloys

Jiao, Jianmeng; Ma, Wenhui; Sun, Yuan; Tao, Dong; Huang, Xin; Wu, Jijun; Dai, Yongnian

doi:10.1016/j.vacuum.2016.02.011

Cited by 7 publications

(2 citation statements)

References 18 publications

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“…In the study of thermodynamic properties, the activity and activity coefficients of liquid alloys have been one of the important topics of research [6] . Earlier, the activity coefficients were mainly obtained by experimental measurements, but for high-temperature alloy melts with high activity, such as titanium alloys, it is difficult to obtain their liquid thermal properties parameters by experimental means, so a new idea of prediction by building theoretical models was opened [7,8] .…”

Section: Introductionmentioning

confidence: 99%

Study of elemental volatilization patterns in electron beam cold hearth melting of TA10 titanium alloy

He,

Liu,

et al. 2024

Ninth International Conference on Energy Materials and Electrical Engineering (ICEMEE 2023)

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The prediction of thermodynamic properties of alloy melts in multi-element systems based on molecular interaction volume modeling (MIVM) requires only the basic physical parameters of the alloying elements to be passed, while simplifying the calculation process. In this paper, the algorithm is used to calculate the activity coefficients of the melt members of Ti-5Al-2.5Sn and Ti-0.3Mo-0.8Ni alloys and the calculated values agree with the experimental values. The activity coefficients of each member of the Ti-0.3Mo-0.8Ni-2Al-1Zr alloy melt was predicted. According to the volatilization model, the volatilization trend of each element in the process of Electron Beam Cold Hearth Melting(EBCHM) polyhedral alloy TA10(Ti-0.3Mo-0.8Ni-2Al-1Zr) was predicted, and the accuracy of the theoretical model was verified by melting experiments.

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Section: Introductionmentioning

confidence: 99%

Study of elemental volatilization patterns in electron beam cold hearth melting of TA10 titanium alloy

He,

Liu,

et al. 2024

Ninth International Conference on Energy Materials and Electrical Engineering (ICEMEE 2023)

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“…To date, the study of the activity of the Ag-Cu-Sb system is rare, and in extraordinary cases, the experimental activity values of the Ag-Cu-Sb ternary alloy have failed to be found, thus there is an urgent need for activity research to fill the gap in this field. Furthermore, because of the challenging operation, high cost and inaccurate activity values due to the high temperature condition in experimental measurements [16,17], the predictive activity model is the mainstream method of research concerning activity. And the activity study of a ternary alloy is based on the conclusion of an activity study of its binary alloys [18,19].…”

Section: Introductionmentioning

confidence: 99%

Activity Calculation and Vacuum Separation Theoretical Research concerning Ag–Cu, Ag–Sb and Cu–Sb Binary Alloys

Li,

Tian,

Kong

et al. 2024

Metals

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The Ag–Cu–Sb system is a key component of lead anode slime and boasts an exceptionally high economic recovery value. In this work, six models, including the Molecular Interaction Volume Model (MIVM), Modified Molecular Interaction Volume Model (M-MIVM), Wilson equation, Miedema model, Regular Solution Model (RSE) and Sub-Regular Solution Model (SRSE), are used to calculate the predicted values of the activity and its deviations with experimental data for binary alloys in the Ag–Cu–Sb system for the first time. The result reveals that the overall means of the average relative deviation and average standard deviation of the M-MIVM are 0.01501 and 3.97278%, respectively, which are about two to six times smaller than those of the other five models, indicating the stability and reliability of the M-MIVM. In the meantime, the predicted data of the Cu–Ag binary alloy at 1423 K, Sb–Ag binary alloy at 1250 K and Sb–Cu binary alloy at 1375 K calculated from the M-MIVM are more reliable and pass the Herington test. Then, the separation coefficient–composition (β–x), temperature–composition (T–x–y) and pressure–composition (P–x–y) of the Cu–Ag, Sb–Ag and Sb–Cu binary alloys are plotted based on the M-MIVM and vacuum theories, showing that the Cu–Ag binary alloy is relatively difficult to separate and that high temperatures or high copper contents are detrimental to obtaining high-purity silver. Meanwhile, theoretical data of the T–x–y diagram are consistent with the available experimental data. These results can guide vacuum separation experiments and industrial production concerning Ag–Cu, Ag–Sb and Cu–Sb binary alloys.

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Vapor–Liquid Equilibria for Zinc–Nickel Binary Alloy System: Measurement and Modeling Using Simplified Molecular Interaction Volume Model

You

Kong

et al. 2022

J Solution Chem

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Application of molecular interaction volume model for predicting the Ca activity coefficients in Si Ca binary and Si Ca Pb ternary alloys

Cited by 7 publications

References 18 publications

Study of elemental volatilization patterns in electron beam cold hearth melting of TA10 titanium alloy

Study of elemental volatilization patterns in electron beam cold hearth melting of TA10 titanium alloy

Activity Calculation and Vacuum Separation Theoretical Research concerning Ag–Cu, Ag–Sb and Cu–Sb Binary Alloys

Vapor–Liquid Equilibria for Zinc–Nickel Binary Alloy System: Measurement and Modeling Using Simplified Molecular Interaction Volume Model

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