Accession Number : ADA290775

Title :   Destruction of Hazardous Chemicals by Oxidation in Supercritical Water: A Theoretical and Computational Treatment of Mechanisms and Elementary Reactions.

Descriptive Note : Final rept. 1 Jan 91-30 Sep 94

Corporate Author : MASSACHUSETTS INST OF TECH CAMBRIDGE ENERGY LAB

Personal Author(s) : Tester, Jefferson W. ; Webley, Paul A. ; Holgate, H. R. ; Phenix, Brian D. ; DiNaro, Joanna L.

PDF Url : ADA290775

Report Date : 16 DEC 1994

Pagination or Media Count : 10

Abstract : The principal objective of this course of study was the development of detailed kinetic mechanisms which described the oxidation of simple compounds in supercritical water at the elementary reaction level. The compounds chosen were hydrogen and carbon monoxide. Kinetic mechanisms were developed from corresponding high-temperature, low-pressure combustion mechanisms available in the literature. The mechanisms were adapted to the high-pressure conditions of the SCWO environment and the resulting modified mechanisms were used to predict the temporal behavior and temperature and pressure dependence of the oxidation of each compound. The model predictions were then compared to hydrogen and carbon monoxide oxidation data obtained from experimental work carried out in parallel to the kinetic modeling effort. (jg)

Descriptors :   *CHEMICALS, *WATER, *OXIDATION, *SUPERCRITICAL FLOW, *HAZARDOUS MATERIALS, COMPUTATIONS, PREDICTIONS, MODELS, HIGH TEMPERATURE, LOW PRESSURE, HIGH PRESSURE, HYDROGEN, COMBUSTION, CHEMICAL REACTIONS, KINETICS, CARBON MONOXIDE.

Subject Categories : Inorganic Chemistry
      Physical Chemistry
      Chemical, Biological and Radiological Warfare
      Fluid Mechanics

Distribution Statement : APPROVED FOR PUBLIC RELEASE