PhD Oral Exam - Khadijeh Barati, Chemical Engineering

When studying for a doctoral degree (PhD), candidates submit a thesis that provides a critical review of the current state of knowledge of the thesis subject as well as the student’s own contributions to the subject. The distinguishing criterion of doctoral graduate research is a significant and original contribution to knowledge.

Once accepted, the candidate presents the thesis orally. This oral exam is open to the public.

Abstract

Reduction of greenhouse gas emissions from the chemical industry is essential to achieve sustainable industrial development. Carbon capture and utilization (CCU) is a promising approach for CO2 mitigation while producing valuable chemicals. However, to make CCU a viable option for industrial decarbonization, energy efficiency, economic feasibility, and environmental sustainability issues must be addressed.

In this Ph.D. research, the focus is on designing and numerical simulation of novel CO2 conversion reactors with an emphasis on electrification technologies for methanol production, in the Canadian context. First, an electrified combined reforming (E-CRM) process is simulated and designed in Aspen Plus. The results show that electrification enhances process efficiency, making CO2 utilization more feasible for industrial applications.

An eco-techno-economic and lifecycle analysis (e-TEA/LCA) is conducted to evaluate the feasibility of different CO2 conversion pathways. The results indicate that under low-carbon electricity, electrified pathways have lower GHG mitigation credit than the CCS-based pathway. This highlights the importance of electricity grid emissions in CCU effectiveness and provides direction for the optimal pathway.

Next, numerical modeling using COMSOL Multiphysics is conducted to study the fluid, heat, and mass transport phenomena in reactors utilizing induction heating. As a clean alternative to fossil-fuel-based heating, induction heating provides rapid, localized, and energy-efficient thermal input with zero direct CO2 emissions. The model provides insights into reactor optimization, like temperature distribution, reaction kinetics, and energy efficiency improvements.

Additionally, a plasma-assisted methane decomposition system is integrated with CO2-utilizing pathways for hydrogen and carbon black. This route shows significant CO2 emission reductions, leveraging electrification for clean syngas generation and enhanced process sustainability.

By reactor design optimization, process efficiency improvement, and evaluation of economic and environmental impacts, this research advances the development of CCU technologies and offers a roadmap for the sustainable and cost-effective utilization of CO2. playing a role in the shift towards a low-carbon chemical industry. The outcomes contribute to the broader transition toward a low-carbon chemical industry.