Microkinetic modelling of catalytic processes

Summary

In our projects, in this area we employ quantum chemistry, molecular dynamics, laboratory experiment and kinetic modelling to produce fundamental, validated mechanisms. We employ these mechanisms in the design of novel highly compact, highly integrated processes.

Supervisor(s)

Dr Alejandro Montoya, Emeritus Professor Brian Haynes

Research Location

Chemical and Biomolecular Engineering

Program Type

N/A

Synopsis

Detailed chemical kinetic modelling of catalytic processes is an emerging area of research that provides greatly improved understanding of the reaction mechanisms underlying the manufacture of important chemical products. This then provides the basis for process improvement and for the optimised design of new processes.

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Keywords

microkinetics, catalysis, quantum chemistry, reaction engineering

Opportunity ID

The opportunity ID for this research opportunity is: 378

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