2 research outputs found
Application of interval analysis for gibbs and helmholtz free energy global minimization in phase stability analysis
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Spectroscopy, modeling and computation of metal chelate solubility in supercritical CO{sub 2}. Annual progress report, September 15, 1996--September 14, 1997
'This progress report contains (1) a statement of the objectives of the overall project, (2) a discussion of the results obtained during the first year of the three year grant period, (3) a summary, (4) a description of the future work that will be pursued during the next year, and (5) accounting information. This is followed by the literature cited and the pertinent tables and figures. The overall objectives of this project are to gain a fundamental understanding of the solubility and stability of metal chelates in supercritical CO{sub 2}. Extraction with CO{sub 2} is a excellent way to remove organic compounds from soils, sludges and aqueous solutions and recent research has demonstrated that together with chelating agents it is a viable way to remove metals, as well. The authors seek to gain fundamental knowledge that is vital to computing phase behavior, and modeling and designing processes using CO{sub 2} to separate organics and metal compounds from DOE mixed wastes. The overall program is a comprehensive one to measure local solvation of metal chelates and to determine metal chelate stability in supercritical fluid mixtures using UV-vis and FTIR spectroscopy. The spectroscopic studies provide information on the solution microstructure, which they are using in concert with their own and published solubility data to evaluate and develop thermodynamic models of the solubility behavior. Finally, they are implementing a more reliable computational technique, based on interval mathematics, to compute the phase equilibria using the thermodynamic modeIs. This fundamental information about metal chelate stability and solubility in supercritical CO{sub 2} is important in the design of processes using CO{sub 2} to extract components from mixed wastes and in determining the optimum operating conditions.