Mathematical modeling of hydrogen production performance in thermocatalytic reactor based on the intermetallic phase of Ni3Al

The main aim of the following paper is mathematical modelling for momentum, heat and mass transfer, which is accompanied by chemical surface reactions of the flow of the mixture helium and methanol. The thermocatalytic devices used for decomposition of hydrocarbons incorporate vertical microchannels coupling at the ends and heated to 500 oC at the walls. The results of the experiment were compared with CFD calculations to calibrate the constants of the model UDFs (User Defined Functions). These extensions transformed the calculations mechanisms and algorithms of commercial codes adapting them for the micro-flows cases and increased chemical reactions rate on an interphase between fluid and solid. Results obtained on the way of numerical calculations have been calibrated and compared with the experimental data to receive satisfactory compliance. The model has been verified and the performance of the thermocatalytic reactor with microchannels under hydrogen production regime has been investigated.