TernAPI program for the calculation of ternary phase diagrams with isolated miscibility gaps by the convex hull method

Voskov, A. L.; Dzuban, Alexander V.; Maksimov, Aleksey

doi:10.1016/j.fluid.2014.12.028

Cited by 17 publications

(7 citation statements)

References 36 publications

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“…The calculations and construction of the phase diagrams sections were done using the TernAPI program developed at Lomonosov Moscow State University's Laboratory of Chemical Thermodynamics [39].…”

Section: Nomentioning

confidence: 99%

Thermodynamic Modeling of Multicomponent Rare Earth Nitrates Aqueous Systems

Dzuban

Galstyan

Коваленко

et al. 2021

Russ. J. Phys. Chem.

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Solubility constants of rare earth (RE) nitrates crystalline hydrates are determined in a wide temperature range (−30 to 120°C), salts solubilities and phase diagrams of water–RE nitrate systems are calculated. For multicomponent (n > 5) solutions of RE nitrates the assessment of solution properties as well as phase diagrams are shown to be feasible within experimental uncertainty. In case of mixtures of RE nitrates with similar hydrodynamic radii of ions, the parameters of RE1–RE2 interparticle interaction can be ignored without losing accuracy of thermodynamic modeling.

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Section: Nomentioning

confidence: 99%

Thermodynamic Modeling of Multicomponent Rare Earth Nitrates Aqueous Systems

Dzuban

Galstyan

Коваленко

et al. 2021

Russ. J. Phys. Chem.

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“…The region of the homogeneity of the solid solution Bi(Sb)=B(C) is shown in [26] in the isothermal section 300°C. Analogous section is used for the illustration of the phase diagrams calculation results by the method of the convex hulls [28]. However, the binary system Bi-Sb adjoins not with the solid solution B(C) region, but with the two-phase region Bi(Sb)+AuSb 2 =B(C)+R 2 , containing the compound with the third component (gold), in the same section, published in the atlas and in [25].…”

Section: Au-bi-sbmentioning

confidence: 99%

Verification of Phase Diagrams by Three-Dimension Computer Models

Lutsyk¹,

Vorobeva²

2017

Mod Chem Appl

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Present paper is the survey of the works, dedicated to the elimination of contradictions in the publications, which describe the calculated and/or experimental results of investigations of the three-component systems phase diagrams. Special approach to the construction of phase diagrams in the form of their assembling from the surfaces and the phase regions into the three-dimensional (3D) computer model as the effective tool of the detection of the incorrect interpretation of the obtained experiment or of errors in the thermodynamic calculations of the phase diagrams fragments, caused by a deficiency in the initial information, is proposed. 3D computer models of Au-Ge-Sn, Au-Ge-Sb, Ag-Au-Bi, Ag-Sb-Sn, Au-Bi-Sb T-x-y diagram are considered.

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“…¼ À0:23746 À 5:5391$10 À3 T þ 5:3511$10 À6 T 2 þ 0:104524T 0:5 (8) Obtained D mix G m ðx; TÞ analytical forms (thermodynamic models) were checked for the lack of miscibility gaps of liquid by means of the convex hull method as described by Voronin and Voskov [18,19], Voskov et al [20].…”

Section: Stability Parametersmentioning

confidence: 99%

“…In the present work a convex hull method implemented in TernAPI computer program was used for the construction of diagrams (details of program realization are given by Voronin and Voskov [18,19] and by Voskov et al [20]). The results of these calculations are presented in Fig.…”

Section: Water (W)eurea (Ur)eammonium Sulfamate (Asm) Ternary Systemmentioning

confidence: 99%