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Chemical reactions and phase equilibria of model halocarbons and salts in sub- and supercritical water (200-300 bar, 100-600°C)

Cornell Affiliated Author(s)

Author

J.W. Tester
P. Marrone
M.M. DiPippo
K. Sako
M.T. Reagan
Tomas Arias
W.A. Peters

Abstract

Experimental data and theoretical predictions of hydrolysis reaction kinetics of model halocarbons and phase equilibria of their associated neutralized salt reaction products are reported for a range of hydrothermal conditions. Specifically, the results of a study of hydrolysis and oxidation of methylene chloride (CH2Cl2) to produce CO2, H2O, and HCl as final mineralized products are presented. An analysis of hydrolysis kinetics and heat transfer was used to generate kinetic parameters for comparison with theoretical predictions based on a modified form of the Kirkwood solution model to show density dependent effects as a function of the dielectric strength of the reaction solvent medium. Phase equilibria data for the ternary NaCl-Na2SO4-H2O, system at 200 and 250 bar were measured and correlated. A modified form of the Anderko-Pitzer semi-empirical PVTxi model was used to predict equilibrium phase boundaries for the NaCl-H2O system at 210, 250, and 300 bar. Molecular simulation results for the NaCl-H2O binary was used to illustrate changes in the solvation power of water as a function of density. © 1998 Elsevier Science B.V. All rights reserved.

Date Published

Journal

Journal of Supercritical Fluids

Volume

13

Issue

1-3

Number of Pages

225-240,

URL

https://www.scopus.com/inward/record.uri?eid=2-s2.0-0001151249&doi=10.1016%2fS0896-8446%2898%2900056-4&partnerID=40&md5=5a89b007bd595c37792f2dc55fad09d9

DOI

10.1016/S0896-8446(98)00056-4

Group (Lab)

Tomas Arias Group

Funding Source

DMR94-00334
DAAG04-94-G-0145
DAAH04-96-1-0174
DAAL03-92-G-0177-URI
BR-3456

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