Modeling simulations service

The Department of Natural Resources Canada (NRCan) has a requirement to provide fundamental theoretical modeling simulations service (particularly ab initio molecular dynamics modeling simulation) to clarify the physical and chemical properties of supercritical CO2 (s-CO2) streams with different aggressive impurities and predict how the s-CO2 steams interact with the pipeline steels with various microstructures and defects. This service shall support an NRCan research group to fill fundamental knowledge gaps on the development of national s-CO2 transportation and storage standards.