Showing papers on "Gibbs–Duhem equation published in 1986"
TL;DR: In this paper, a set of parameter values describing the Gibbs energy of each individual phase as a function of temperature and pressure is given. And the experimental information on the P, T phase diagram and the thermodynamical data are compared with calculations made using the presented set of parameters.
97 citations
12 citations
TL;DR: Various ways of building quasi-Newton matrix approximations that satisfy the special form of the Gibbs-Duhem equation are studied, and the method of iterated projections is used in order to develop thermodynamically consistent matrix approxIMations with good secant information.
Abstract: Various ways of building quasi-Newton matrix approximations that satisfy the special form of the Gibbs-Duhem equation are studied. Partition symmetry, the separability of the functions in γ and in ϕ, and the method of iterated projections are used in order to develop thermodynamically consistent matrix approximations with good secant information. Many examples are presented which show that exploiting the special form of the Gibbs-Duhem equation results in improved numerical performance. Ways of exploiting the Gibbs-Helmholtz equation in addition to the special form of Gibbs-Duhem equation, and thus the isobaric form of the Gibbs-Duhem equation, are also discussed.
11 citations
TL;DR: In this article, a thermodynamic inconsistency in the Pelton-Flengas analytical solution of the Gibbs-Duhem equation for ternary systems has been identified and a new analytical solution is presented and a reasonable calculation procedure is suggested.
Abstract: A thermodynamic inconsistency in the Pelton–Flengas analytical solution of the Gibbs–Duhem equation for ternary systems has been identified. A new analytical solution is presented and a reasonable calculation procedure is suggested. A sample calculation has been carried out for the Zn–In–Cd system, using a Fortran 77 computer program designed for the purpose. The results are in good agreement with those obtained graphically. The whole calculation only requires ca. 1 min computer time.
10 citations
TL;DR: The authors reconcile an apparent discrepancy with points raised by a different author on the basis of some fundamental thermodynamic consideration which go back to some of the thermodynamic works of Gibbs and Duhem.
Abstract: The purpose of this article is to reconcile an apparent discrepancy with points raised by a different author on the basis of some fundamental thermodynamic consideration which go back to some of the thermodynamic works of Gibbs and Duhem .
6 citations
TL;DR: In this article, the Gibbs-Duhem relation was used to calculate the activity coefficients of CoCl2 in the binary mixture HCl-CoCl2-H2O at 25 °C.
Abstract: Numerical calculations of the activity coefficients of CoCl2 in the binary mixture HCl–CoCl2–H2O at 25 °C using different methods are reported. From the results it is found that the recently derived general Gibbs–Duhem relation is useful in computing the activity coefficients of one electrolyte from another electrolyte whose activity coefficients can be experimentally fitted.
6 citations
2 citations
TL;DR: In this paper, the authors studied the mass action law for a competitive reaction in non-stoichiometric conditions and in the presence of a solvent, and discussed the nature of the coupling.
Abstract: In this paper, the authors study the mass action law for a competitive reaction in nonstoichiometric conditions and in the presence of a solvent. They go on to discuss the nature of the coupling be...
1 citations
TL;DR: In this paper, a simple estimation of the variations in entropy and free energy of aluminum at melting based on the separation of the total internal energy into structural and nonstructural contributions is presented.
Abstract: We report a simple estimation of the variations in entropy and free energy of aluminum at melting based on the separation of the total internal energy into structural and nonstructural contributions. We make use of an interionic potential calculated from first principles.
1 citations