In recent years, industry has been looking at carbon dioxide (CO2) storage within fractured tight rock formations (such as shales and mudstones). To understand and explain the molecular-level mechanism of CO2 trapping in these tight geological formations, as opposed to conventional saline aquifers, molecular simulations involving molecular dynamics (MD) simulations and quantum chemical calculations need to be performed. Molecular simulations are bridges that connect the microscopic phenomenon with the macroscopic properties of materials. Molecular simulation approaches examine the behaviour of each particle making up the structure, provide detailed nanoscale structural information, and help in providing insights into the impacts of environmental conditions, such as extreme pressure and temperature. The surface of rock mineral, the presence of hydrocarbons, and the existence of water content and ionic species due to varying salinities can be controlled efficiently using molecular simulations, while controlling these may be difficult, if not impossible, to achieve under laboratory experimentations.
Our areas of focus
This research involves performing a computational study to understand the unique physical and chemical properties of matrix pore and fracture spaces in tight rocks. This computational study will use known rock mineralogy and elemental compositions, formation fluid compositions, pore types and characteristics, and the pressure-temperature conditions for two to three typical unconventional gas and light oil reservoirs in the Western Canadian Sedimentary Basin.
The results of the simulations will be compared and integrated with petrophysical and geochemical measurements of the reservoir properties to help us better understand CO2 storage mechanisms and how to effectively utilize these unconventional reservoirs for CO2 storage.
Contact information
For information about our team, research, or to work with us, please contact:
James Brydie PhD. P.Geo., Director - Upstream and Environment
james.brydie@nrcan-rncan.gc.ca
(587) 337 2536