Mathematical modeling of a small scale catalytic reactor for hydrogen production from boron compounds

The production of hydrogen through environmentally-friendly methods and efficient manner is the biggest obstacle in the development of hydrogen-based energy economy. In this study, a small-scale reactor was designed to produce hydrogen through catalytic dehydrogenation of boron compounds, which are a type of solid hydrogen storage material. A three-dimensional and non-isothermal catalytic reactor was modeled in Comsol Multiphysics environment. Conservation of mass, species, and energy equations were used to predict some important parameters such as time dependent variation of substrate and hydrogen concentrations. Three different chemical kinetics behaviors were examined in the mathematical model: zero-order, first-order, and Langmuir-Hinshelwood. Kinetic behavior of the reaction was investigated for four different temperatures as 25, 30, 35 and 40°C.