Design of the Process for Methane-Methanol at Soft Conditions Applied to Selection the Best Descriptors for Periodic Structures Using Artificial Intelligence

Methane is a relevant energy vector in modern society considering both, its natural abundance, and the possibility to be produced from residual biomass through an anaerobic process. While methane is a supercritical gas at room temperature, methanol is a liquid, which facilitates its storage and handling as a fuel. This explains the interest and convenience to have a technology for the methane to methanol conversion. The selective oxidation of methane to methanol in a direct way is currently a challenge because depending on the reaction route different results can be obtained. The use of zeolites materials as support of copper complexes promises a clare way to find conditions in order to realize a catalytic process. There are different parameters involve zeolites with copper complexes that contribute to make a chemical environment for the interaction between methanol and active sites in the structure. Taking into account several structural and physical chemical parameters it is possible to make a selection of the best structures for this conversion process, helping on artificial intelligence algorithms.