Temperature modeling for reaction development in microwave-assisted chemistry

This paper addresses the problem of efficient control over microwave-assisted chemical reactions from a microwave engineering perspective. We report a precise reproduction of a lab-scale resonator-type reactor in a 3D model capable of monitoring electromagnetic and thermal processes. The reactant is represented by temperature-dependent complex permittivity, density, specific heat and thermal conductivity. Time-temperature histories of microwave heating of water are simulated and determined experimentally; the results are shown to be in a good agreement. A simple empirical model (also verified by measurements) is proposed to verify the effect of convection observed in the reactor. The developed principles can be used in the models of other reactors to help with key developments in microwave-assisted chemistry.