Reaction Models For Supercritical Water Oxidation Processes.

Abstract

Quantitative models of the reaction kinetics are essential for the design and optimization of chemical processes wherein reactions occur. This paper provides an overview of research into the development of such models for supercritical water oxidation processes. We illustrate two different, but complementary approaches. One approach is empirical, and it is the traditional engineering kinetics approach. The second approach is fundamental, and it is based on the governing mechanism and elementary reaction steps. The advantages and disadvantages of the two approaches are also discussed.

Review on Mechanisms and Kinetics for Supercritical Water Oxidation Processes

“…The profound understanding of the intrinsic processes and dynamics of SCWO reactions plays an important role in constructing a reasonable DCKM, which is necessary for achieving reaction path control and reactor design optimization. Savage and his team have pointed out that the DCKM effectively ties together reaction mechanisms and global dynamics [150]. However, conventional measures are limited due to the high-temperature and high-pressure reaction conditions of SCWO, while quantum chemistry and molecular dynamics simulations can provide new support for understanding the potential role of water and improving the DCKM.…”