Structure-property relationship of transition metal phosphides

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The oilsands are an enormous resource for Canada, with over 1.7 trillion barrels of oil in place. With available technology for open-pit mining and in-situ production, the recoverable oil is estimated to be 315 billion barrels, larger than the total reserves of Saudi Arabia. The production of bitumen and synthetic crude reached 1 million barrels per day in 2003, and is expected to increase to between 1.8 and 2.4 million barrels per day by 2015. While current production and upgrading methods are profitable, they are not sustainable if this resource is to be developed to its full potential. In order to compete with international production, the oil sands industry must reduce costs while at the same time reducing the environmental impact of its operations. New hydrotreating catalyst technology is essential to using this resource in an environmentally sound manner and expanding the available market for oil sands-derived synthetic crudes. The proposed research will provide fundamental insight into the development of new hydrotreating catalysts from first principles, and the subsequent verification of surface structures and reaction mechanisms and energetics of transition metal phosphide catalysts.  The key aspect of this research is the scientific approach, namely evaluating new hydrotreating catalysts based on a foundation of fundamental research and not relying on the optimization of existing catalysts.  These studies will provide a detailed understanding of the structure-property relationship of transition metal phosphides (Ni2P, MoP, CoP, Ni(Co)(Mo)P), which will facilitate the development of highly active hydrotreating catalysts.