Simulation of Methane Production from Carbon Dioxide on a Collaborative Research Infrastructure

摘要

We have implemented the numerical simulation of the kinetics of the Ni-catalyzed H_2 + CO_2 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 location at the University of Perugia.