Branch COutline of the Research Project

Branch C: Effective use of energy and material resources - Methane, CO2, and efficient catalysts

Melting simulation of a block of methane hydrate using the K supercomputer.

Basic technologies on separation, recovery, storage, and catalytic reactions of methane and CO2 will be developed, which are essential for the effective usage of energy and material resources throughout the processes from mining to end-user consumption of chemical energies. To this end, comprehensive and new simulation methods will be established on the basis of electronic state theory and molecular dynamics simulations, thereby providing guidance of practical material designs at the molecular level. We anticipate that industrial processes are revolutionarily improved by results of this study, i.e., the efficient usage of hydrates, high-performance catalysts, and recovery and separation technologies of CO2.