Topic
Gibbs–Duhem equation
About: Gibbs–Duhem equation is a research topic. Over the lifetime, 393 publications have been published within this topic receiving 6248 citations. The topic is also known as: Gibbs-Duhem equation.
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TL;DR: In this paper, the Gibbs-Duhem equation is derived for multiphase/multicomponent thermodynamic systems and applied to two organic solids, crystalline albuterol sulfate and amorphous poly(vinyl pyrrolidone).
Abstract: The general form of the Gibbs-Duhem equation is derived for multiphase/multicomponent thermodynamic systems. The result illustrates that the form of the equation is invariant with respect to the number of phases present in the material. Therefore, calculation of activities or activity coefficients is possible using the same form of equation as has been applied to single-phase systems. The general form of the equation is applied to two organic solids, crystalline albuterol sulfate and amorphous poly(vinyl pyrrolidone). Physical chemistry instructors may find the derivation of the general form of the Gibbs-Duhem equation and its application to pharmaceutical materials a useful exercise for students.
10 citations
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10 citations
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TL;DR: In this article, thermodynamic constraints are introduced to describe Gibbs energies for a CALPHAd-type calculation; available data on the pure elements and phase diagram data were used to optimize relevant parameters.
Abstract: Thermodynamic constraints are introduced to describe Gibbs energies for a CALPHAd-type calculation; available data on the pure elements and phase diagram data were used to optimize relevant parameters. Constraints can be applied to the mathematical description of Gibbs energies for three regions of phase diagrams: those with complete miscibility, those with an intermetallic compound, and those with a miscibility gap. The authors examine the present thermodynamic constraints in construction of Gibbs energies for the Ag-Pd, Mg-Sn, and Au-Ni binary systems as typical examples for these cases. The optimization procedure for obtaining parameters for models of the Gibbs energies is divided mainly into four steps to reach the final parameters, and the results obtained in each step are compared in detail. The authors also present assessed parameters for the Gibbs energies concerning these three binary systems by the available thermodynamic data in addition to the phase diagram data with the present thermodynamic constraints.
10 citations
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TL;DR: In this paper, the problem is reduced to shift spaces and solved there by constructing suitable conjugating homeomorphisms in order to verify the conditions for Gibbs states which Bowen gave for shift spaces, where the equivalence to equilibrium states is known.
Abstract: Ruelle and Capocaccia gave a new definition of Gibbs states on Smale spaces. Equilibrium states of suitable functions thereon are known to be Gibbs states. The converse is discussed in this paper, where the problem is reduced to shift spaces and solved there by constructing suitable conjugating homeomorphisms in order to verify the conditions for Gibbs states which Bowen gave for shift spaces, where the equivalence to equilibrium states is known.
10 citations
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TL;DR: In this article, a path integral method for calculating the difference in chemical potentials for a quantum mixture, which is a combination of the difference method and the f-g method, is presented.
Abstract: We report a new path integral method for calculating the difference in chemical potentials for a quantum mixture, which is a combination of the difference method and the ‘f-g’ method. The method is based on distribution functions of fictive changes of paths of real particles in the system. We applied the new method to the isotopic mixture, 3He + 4He, at T = 2 K. The excess Gibbs free energy was computed over a range of compositions; the results are in relatively good agreement with experimental data. The method thus shows promise for further applications in the study of thermodynamic properties of dense quantum mixtures.
10 citations