This paper reports a 3D computational fluid dynamics simulation of carbon dioxide (CO2) methanation in a shell-and-tube reactor resolved to the catalyst geometry level. Fluid flow, heat transfer, and mass transfer are calculated, and the local distribution of gas and solid phases in the reactor is shown in detail. To generalize the simulation model, the catalyst effectiveness factor was treated as a variable, and the catalyst effectiveness factor equation and its parameters were investigated. As a result, the catalyst effective coefficient derived from the general Thiele modulus was the best agreement for the present computational model. For higher accuracy, the equations need to be improved to be more suitable for more reality models and chemical reaction equations.
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