2000 | OriginalPaper | Chapter
Molecular Simulation and Modeling of Supercritical Water and Aqueous Solutions
Authors : A. A. Chialvo, P. T. Cummings
Published in: Supercritical Fluids
Publisher: Springer Netherlands
Included in: Professional Book Archive
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Most biochemical and Industrial processes occur in solution, making It crucial to be able to understand solvatlon effects on solubility and chemical reactivity [1, 2]. Numerous recent developments have resulted In an Increased Interest in supercritical water (SCW) and aqueous solutions [3–5]. In particular, supercritical water Is generating Interest as an environmentally-benign solvent for a variety of chemical processes and technological applications Including selective -synthesis [6], coal conversion [7], deuteration of simple organic compounds [8], and conversion of organic waste to light feedstock [9], where water participates as a solvent, a catalyst, and a reactant. Perhaps the most promising application In this area Is the destructive oxidation of biochemical and pharmacological hazardous wastes, known as the supercritical water oxidation (SCWO) process [10-14].