A high-density, high-temperature mixture model Page: 2 of 29
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A HIGH-DENSITY, HIGH-TEMPERATURE MIXTURE MODEL
Francis H. Ree
Lawrence Livermore National Laboratory
Livermore, CA 94550 USA
Some of the interesting changes that occur in nature contain
mixtures at high pressures and high temperatures. They may involve
phase changes and chemical reactions with many chemical species. This
particular sub-branch of physics and chemistry has been richly supported
by experimental data, but poorly by first-principles theory.
Fortunately, for simple systems or complex molecular mixtures at high
temperatures, it is possible to develop a reliable statistical mechanical
model based on molecular physics, an accurate theory of fluids, and the
thermodynamic equations governing mulitpha:_ chemical equilibria.
This paper describes such a mixture model. There are other mixture
theories1 that are more elaborate than the one described in this paper;
however, they are either impractical to use (for multicomponent systems,
nonspherical forces, many-body forces, etc.) or less accurate at high
pressures. The present model is mostly designed for multicomponent
systems and is useful for high pressure and high temperature applica-
tions. Several recent experimental and theoretical advances aided us in
building the mixture model.
1. Experimental shock wave2.3 and static compression3 data of
many simple molecular species.
2. The availability of the diamond-anvil cell technology for
studying a supercritical fluid-fluid phase separation.4
3. Reproduction of the experimentally measured data by a priori
statistical mechanical methods.5
4. A theoretical foundation for making a spherical approxination
for nonspherical molecular interactions at high
5. Construction of a reliable mixture model by using computer
6. Development of a sophisticated computer code to solve complex
multiphase chemical equilibrium problems.8
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Ree, F.H. A high-density, high-temperature mixture model, article, March 1, 1988; California. (https://digital.library.unt.edu/ark:/67531/metadc1059100/m1/2/: accessed April 22, 2019), University of North Texas Libraries, Digital Library, https://digital.library.unt.edu; crediting UNT Libraries Government Documents Department.