Multi-level optimization of naphtha hydrotreating catalysts

油砂是加拿大的巨大资源，有超过1.7万亿桶的石油储量。根据现有的露天开采和就地生产技术，可采石油估计为3150亿桶，比沙特阿拉伯的总储量还大。2003年，沥青和合成原油的日产量达到100万桶，预计到2015年将增加到180万至240万桶。虽然目前的生产和升级方法是有利可图的，但如果要充分开发这种资源，这些方法是不可持续的。在油砂沥青合成原油生产过程中，脱硫脱氮催化剂不可避免地会因砷的沉积和焦炭的堆积而失效。反过来，这种失活降低了催化剂的效率，增加了必须更换催化剂的频率，从而增加了对反应器和生产计划的要求。本研究旨在结合催化的两个研究基础，即分子模拟和预测的实验验证，以发展对石脑油催化剂失活的全面了解，以支持石脑油加氢处理反应器控制和优化策略的发展。石脑油加氢处理催化剂的成功开发和最大化催化剂寿命的工艺优化策略可以快速商业化并应用于沥青升级工艺，以提高加氢处理操作的生产率和能效。这项研究的潜在影响将通过增加油砂沥青的利用率而得到加拿大经济和工业的认可，同时减少与石油基自然资源消耗增加有关的环境影响。

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. During the production of synthetic crude from the oilsands bitumen, catalysts used for the removal of sulfur and nitrogen inevitably deactivate with time due to arsenic deposition and coke accumulation.  In turn, this deactivation reduces the catalyst efficiency and increases the frequency in which the catalyst must be replaced, placing increasing demands on the reactors and production scheduling.  The present research seeks to combine two research foundations in catalysis, namely molecular simulation and experimental validation of predictions, to develop a comprehensive understanding of naphtha catalyst deactivation to support the development of a control and optimization strategy for naphtha hydrotreating reactors. The successful development of naphtha hydrotreating catalysts and process optimization strategy to maximize catalyst life can be rapidly commercialized and implemented into bitumen upgrading processes to increase the productivity and energy efficiency of the hydrotreating operation. The potential impact as a result of this research would be recognized by Canadian economy and industry through the increased utilization of the oilsands bitumen, while decreasing the environmental impact associated with the increased consumption of petroleum-based natural resources.