This work is devoted to the mathematical modeling and calculation of the hydrogenation reaction of carbon dioxide to produce methanol using kinetic models developed with taking into account different understandings of the reaction mechanism; in particular, the Graaf and Rozovskii-Lin mechanisms are considered. It has been shown that under flow conditions, both models designed for describing the reaction of methanol production from synthesis gas fairly accurately describe the CO2 hydrogenation reaction. Under recycle flow conditions, a more accurate description of the product yield with changes in pressure and temperature can be obtained using a model based on the Graaff mechanism.