The equation of state of supercritical HF, HCl, and reactive supercriticalmixtures containing the elements H, C, F, and Cl

Citation
Le. Fried et Wm. Howard, The equation of state of supercritical HF, HCl, and reactive supercriticalmixtures containing the elements H, C, F, and Cl, J CHEM PHYS, 110(24), 1999, pp. 12023-12032
Citations number
61
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF CHEMICAL PHYSICS
ISSN journal
00219606 → ACNP
Volume
110
Issue
24
Year of publication
1999
Pages
12023 - 12032
Database
ISI
SICI code
0021-9606(19990622)110:24<12023:TEOSOS>2.0.ZU;2-J
Abstract
We develop a model of chemical equilibrium mixtures containing the elements H, C, F, and Cl. The model is based on a recently developed equation of st ate for the exponential-6 fluid, combined with a simple equation of state f or condensed carbon. We show that the shock response of a wide variety of m olecular and polymeric fluorocarbons and chlorocarbons can be modeled as a chemical equilibrium mixture of a small number of dissociation product mole cules. In particular, we predict that shocked polyvinylidine fluoride (PVF2 ) decomposes into a fluid phase composed mostly of HF, and a phase containi ng condensed carbon. HF is known to strongly associate in the supercritical fluid phase. We predict that such an association also occurs under shock c onditions. (C) 1999 American Institute of Physics.