Understanding molecular interactions and interfacial behaviors of asphaltenes towards development of an integrated bitumen recovery and upgrading process

沥青质通常定义为原油中可溶于甲苯而不溶于烷烃（通常为正戊烷或正庚烷）的部分。沥青质的存在对沥青从提取到精炼的整个加工过程具有显著影响。对于使用蒸汽辅助重力泄油（SAGD）操作的沥青的原位提取，通常认为沥青质使油-水乳液稳定，并且可能妨碍有效的水回收并导致设备和管道结垢，从而导致腐蚀和堵塞。为了解决这些具有挑战性的问题，油砂工业正在开发一种改进的和集成的原位沥青回收和提质工艺，旨在将油-水-矿物固体分离、溶剂脱沥青和分馏（以及任选的热裂化和烯烃转化）组合成一个集成的加工单元。在这种新方法中，合适的石蜡溶剂将用作稀释剂以增强油和水的分离，并促进除去不希望的和有问题的沥青质、固体和水，促进沥青质的运输/分离用于其他用途，并生产高得多的质量的油，同时显著降低沥青生产的操作成本和环境影响。该项目旨在阐明复杂流体介质中沥青质的稳定性和分子相互作用机制及其在水/油/矿物固体界面的界面性质，并了解合适的石蜡稀释剂的选择和影响，通过结合分子和表面力测量和分子动力学模拟的创新方法，这对于成功开发用于加拿大油砂工业的沥青提取和提质的上述集成方法是至关重要的。

Asphaltenes are normally defined as the part of the crude which is soluble in toluene and insoluble in alkanes, usually n-pentane or n-heptane. The presence of asphaltenes has significant influence on the entire processing of bitumen, from extraction to refinery. For in situ extraction of bitumen using steam assisted gravity drainage (SAGD) operations, asphaltenes are generally believed to stabilize oil-water emulsions, and can prohibit efficient water recovery and cause fouling to equipment and pipes thereby resulting in corrosion and clogging. To address these challenging issues, oil sands industry is developing an improved and integrated in situ bitumen recovery and upgrading process, aiming to combine oil-water-mineral solids separation, solvent de-asphalting and fractionation (and optionally, thermal racking and olefin conversion) into one integrated processing unit. In this new process, suitable paraffinic solvents will be used as diluent to enhance the separation of oil and water and facilitate the removal of the undesired and problematic asphaltenes, solids and water, promote the transport/separation of asphaltenes for other uses, and produce oils of much higher quality while significantly reducing operating cost and the environment impact of bitumen production. The proposed project aims to elucidate the stability and molecular interaction mechanisms of asphaltenes in complex fluid media and their interfacial properties at water/oil/mineral solid interfaces, and understand the selection and impact of suitable paraffinic diluent, through an innovative approach of combining molecular & surface force measurements and molecular dynamics simulations, which will be critical for the successful development of the above integrated process for bitumen extraction and upgrading for the Canadian oil sands industry.