[HTML][HTML] A coherent set of model equations for various surface and interface energies in systems with liquid and solid metals and alloys

G Kaptay - Advances in colloid and interface science, 2020 - Elsevier
In this paper first a generally valid model is derived from the two fundamental equations of
Gibbs for temperature and composition dependences of all types of interfacial energies. This …

Nano-Calphad: extension of the Calphad method to systems with nano-phases and complexions

G Kaptay - Journal of materials science, 2012 - Springer
The abbreviation “nano-Calphad” stands for “Calculation of Phase Diagrams for nano-
systems.” Nano-systems contain at least one phase or at least one interface layer (film …

On the size and shape dependence of the solubility of nano-particles in solutions

G Kaptay - International journal of pharmaceutics, 2012 - Elsevier
The general equation is derived for the equilibrium of a small solid particle and a large
solution, being consistent with the thermodynamics of Gibbs. This equation can be solved in …

Assessment techniques, database design and software facilities for thermodynamics and diffusion

R Schmid-Fetzer, D Andersson, PY Chevalier, L Eleno… - Calphad, 2007 - Elsevier
The purpose of this article is to give a set of recommendations to producers of assessed
thermodynamic data, who may be involved in either the critical evaluation of limited …

On the tendency of solutions to tend toward ideal solutions at high temperatures

G Kaptay - Metallurgical and materials transactions A, 2012 - Springer
The rule of Lupis and Elliott (LE rule) proposed for the first time in 1966 is reformulated in
this article as,“Real solid, liquid and gaseous solutions (and pure gases) gradually approach …

Thermodynamic reassessment of the Al–Zr binary system

R Tamim, K Mahdouk - Journal of Thermal Analysis and Calorimetry, 2018 - Springer
Based on the data of the literature reports, the Al–Zr binary system has been re-assessed
thermodynamically through the CALPHAD (CALculations of PHAse Diagram) approach …

Thermodynamic description of the Al–Mg–Si system using a new formulation for the temperature dependence of the excess Gibbs energy

Y Tang, Y Du, L Zhang, X Yuan, G Kaptay - Thermochimica acta, 2012 - Elsevier
An exponential formulation was proposed to replace the linear interaction parameter in the
Redlich–Kister (R–K) polynomial for the excess Gibbs energy of ternary solution phase. The …

Modelling equilibrium grain boundary segregation, grain boundary energy and grain boundary segregation transition by the extended Butler equation

G Kaptay - Journal of materials science, 2016 - Springer
The Butler equation is extended to model equilibrium grain boundary (GB) energy and the
equilibrium GB composition of a polycrystal, as a function of the following state parameters …

The exponential excess Gibbs energy model revisited

G Kaptay - Calphad, 2017 - Elsevier
The exponential model for the temperature (T) dependence of the excess Gibbs energy of
liquid solutions within the framework of the Redlich-Kister polynomials is proven to be an …

Phase diagrams and thermochemical modeling of salt lake brine systems. IV. Thermodynamic framework and program implementation for multicomponent systems

D Li, D Zeng, X Yin, D Gao, Y Fan - Calphad, 2020 - Elsevier
This paper is part of a series of studies on the development of a multi-temperature
thermodynamically consistent model for salt lake brine systems. The objective of this study is …