SP-Wax: Solid–liquid equilibrium thermodynamic modeling software for paraffinic systems

Liquid-Liquid Equilibrium for the Ternary Systems of Solvent+ m/o/p-Cresol+Water: Thermodynamic Modeling

In this study, NRTL and UNIQUAC thermodynamic models were used to predict the composition of ternary mixtures of solvents+ m/o/p-cresol+ water in organic and aqueous phases. Various solvents are used for the separation of cresols from water. In this study, methyl propyl ketone, methyl isopropyl ketone, methyl butyl ketone, and methyl isobutyl ketone solvents were investigated. Intermolecular in...

Temperature of systems out of thermodynamic equilibrium.

Two phenomenological approaches are currently used in the study of the vitreous state. One is based on the concept of fictive temperature introduced by Tool [J. Res. Natl. Bur. Stand. 34, 199 (1945)] and recently revisited by Nieuwenhuizen [Phys. Rev. Lett. 80, 5580 (1998)]. The other is based on the thermodynamics of irreversible processes initiated by De Donder at the beginning of the last ce...

Thermodynamic length for far-from-equilibrium quantum systems.

We consider a closed quantum system initially at thermal equilibrium and driven by arbitrary external parameters. We derive a lower bound on the entropy production which we express in terms of the Bures angle between the nonequilibrium and the corresponding equilibrium state of the system. The Bures angle is an angle between mixed quantum states and defines a thermodynamic length valid arbitrar...

Extension of Simulation Software for Thermodynamic and Other Systems Including Energy-Based Modeling

The author’s Simulation Package for Thermodynamic Systems, which is freely downloadable from the internet, was specially designed to accommodate convection bond graphs, although it also handles conventional and hybrid bond graphs. Several new backward-compatible features have been added to this simulation package to enhance the flexibility of its non-thermodynamic aspects, such as its treatment...

Fundamental limitations on plasma fusion systems not in thermodynamic equilibrium