Reaction and transport phenomena in millisecond microchannel reactors for hydrogen production by autothermal reforming

Numerical methods and algorithms were used to solve and analyse problems that involve fluid flows in a millisecond autothermal reforming reactor. Computers were used to perform the calculations required to simulate the interaction of gasses with catalyst surfaces defined by boundary conditions. Computational modelling for the reactor design was performed to investigate the effects of various factors on the efficiency and performance of the system and clarify the relationship between heat, temperature, and energy. The yield and productivity from the chemical process were determined by performing computational fluid dynamics analysis. Additionally, the efficiency difference between feed compositions was determined by thermodynamic analysis. Strength and weakness were assessed under different reaction conditions. Design recommendations were provided and operation strategies were mapped out. The results indicated that the calculated output power of the system is of the order of thousands of kilowatts per cubic meter. Operation at millisecond contact times is feasible, but optimisation of reaction conditions is necessary to balance efficiency and performance. The conversion to hydrogen is influenced greatly by the feed composition, which must be controlled precisely within certain needed limits to maximize the yield and productivity from the chemical process while avoiding the problems of combustion or explosion.