Computatiol Investigation of Ni-Ceria Nanocatalysts to Produce Hydrogen in Aquaprocessing of Heavy Oil

The use of unconventional heavy oil, such as the bitumen derived from oil sands, has progressively increased, placing these
materials as a compelling alternative to meet short- and long-term energy demands. Nevertheless, the current technologies available to exploit and upgrade this crude have critical challenges, such as high production costs, lower energy efficiency, and, even worse, significant environmental damage. Recently, nanocatalysts have emerged as a feasible technology for the in-situ upgrading of heavy oil. In this procedure, a hot fluid that carries the metallic nanoparticles is injected into the reservoir, where the particles act as a catalyst, accelerating hydrocarbon hydrogenation and cracking. However, due to the complexity of the process, significant experimental and theoretical studies are still necessary to fully understand this technique and use it at the industrial level. In this project, we are performing quantum chemistry calculations to investigate the role of NPs, specifically Ni-Ceria, in the in-situ upgrading technology and the aquaprocessing of oil sands.

Faculty Supervisor:

Dennis Salahub

Student:

Partner:

Centro de Investigacion y de Estudios Avanzados del IPN

Discipline:

Computer science

Sector:

Environmental Science and Technology; Clean Technology; Nanotechnology; Quantum Science

University:

University of Calgary

Program: