Molecular Interactions and Reaction Dynamics in Supercritical Water Oxidation
Abstract
In this project we developed the use of novel techniques for addressing acid-base equilibria, chemical kinetics and related phenomena in high temperature water:. UV-vis and fluorescence measurements of acid-base equilibria, fluorescence decay measurements of proton transfer reactions at the ns time frame, pulse radiolysis of reaction intermediates in organic reactions, and fully molecular computer simulation of ion solvation, acid base equilibria, and ion diffusion. We have shown that UV-vis spectroscopy is well-suited for measuring chemical equilibria in SCW. From UV-vis spectroscopic measurements and molecular dynamics simulation of chemical equilibria, we have shown that density effects on broad classes of reactions may be explained in terms of changes in charge dispersal between the relevant chemical states. With single photon counting and pulse radiolysis fast kinetics measurements, in-situ chemical dynamics of organic reactions has been studied. A relatively robust titanium reactor has been designed for studying electrochemical reactions in SCW.
Document Details
- Document Type
- Technical Report
- Publication Date
- Sep 28, 1998
- Accession Number
- ADA358444
Entities
People
- Allen J. Bard
- K. P. Johnston
- M. A. Fox
Organizations
- University of Texas at Austin