Simulation of methane production from carbon dioxide on a collaborative research infrastructure

We have implemented the numerical simulation of the kinetics of the Ni-catalyzed H2 + CO2 process to assist the development of a prototype experimental apparatus producing methane. To this end the simulation program has been ported onto the segment of the distributed platform available to the Virtual Organization COMPCHEM as part of a set of use cases gathered to the end of establishing a European Research Infrastructure. The model adopted, the structure of the software and its parallel reorganization are discussed by taking as a reference the present working conditions of the apparatus in its... Mehr ...