Academic Positions - M.Sc & PhD for Collaborative Project
Developing Photoactive Materials for CO2 Capture and Release via Integrated DFT-based Genetic Algorithm Search, Experimentation and Techno-enviro-economic Assessment
These positions are funded through a collaborative project between the Institut National de la Recherche Scientifique (INRS), York University, the University of Cape Town, and the Toronto Metropolitan University.
PROJECT DESCRIPTION
Combating global warming caused by increased atmospheric CO2 concentrations is a grand challenge in the 21st century. To limit the global temperature increases to 2 °C, set in the 2015 Paris Agreement, enhanced carbon capture materials are urgently needed. Presently, the performance of carbon capture materials is hindered by high energy requirements for regenerating the material, which is typically done using pressure or temperature swing absorption cycles. In this project, a different approach will be taken towards the development of CO2 capture materials, wherein photoactivity is the main driving force for CO2 capture and its subsequent release. The objectives of the project are to use genetic algorithm-based machine learning approaches to identify metal-based nanoparticles that selectively adsorb and photodesorb CO2, fabricate, characterize and test the identified materials, and perform techno-economic (TEA) and life-cycle assessment (LCA) to estimate the commercial viability and environmental impacts of the identified materials. To fulfill these objectives, multiple graduate student positions are available as listed below. The person appointed will work as part of an interdisciplinary and diverse team, with people coming from different backgrounds, focused on developing novel energy materials, and will have access to world-class experimental/computational facilities and collaborations.
PhD POSITION 1
Identification, Fabrication and Testing of CO2 Photocapture Materials. The objectives of this multidisciplinary research project are to model materials that exhibit selective CO2 photoadsorption at the molecular scale, and to fabricate and test the capabilities of these materials to capture and release CO2 under controlled illumination conditions. Density Functional Theory (DFT) and Time-Dependent DFT (TDDFT) will be used to understand the ground state and excited state properties of potential CO2 capture materials. Carbon capture materials will be fabricated by using the solution or vacuum-based deposition methods to impregnate porous supports with nanostructured photoactive materials. The performance of the synthesized carbon capture materials will be tested using a custom-built flow setup comprising a photocell and gas analyzer.
PhD POSITION 2
Computational Materials Design for Sustainable Catalysis Applications. The successful applicant will work on an exciting research program that has the potential to push sustainable energy technologies beyond their current limits. This program will specifically focus on designing efficient and affordable materials for sustainable catalysis applications by manipulating their fundamental properties. This critical research problem will be tackled with the aid of advanced modeling techniques, machine learning, and experimental collaborations.
MSc POSITION 1
Microscale Modeling and Materials Characterization of Porous CO2 Capture Materials. The objective of this project is to numerically model and experimentally characterize attributes of porous carbon capture materials. Numerical modeling will be conducted to predict the gas flow rates and pressure of gas streams flowing through porous CO2 photocapture materials. Tests will be performed to measure the strength and fracture toughness of highly porous substrates that host metal-based nanostructured photocapture materials. The properties of carbon capture materials will also be characterized using scanning electron microscopy, transmission electron microscopy, Brunauer-Emmett-Teller surface area analysis, X-ray diffraction, and UV-Vis spectroscopy.
MSc POSITION 2
Techno-economic and Life-cycle Assessment of CO2 capture materials. Considering the scale of the problem, any materials used to capture CO2 must be regenerated and used in a cyclic manner, otherwise, its global supply will exhaust rapidly. Further, carbon capture materials must be environmentally benign and economically feasible for large-scale capture processes. In this project TEA and LCA will be conducted for different scenarios, wherein carbon capture materials may be used for direct air, pre-or post-combustion processes. Scenarios will be selected based on potential real-world applications, such as enhanced oil recovery projects or sequestration projects in non-producing underground salt caverns or reservoirs. The environmental impacts of selected CO2 capture scenarios will be predicted using the ISO 14044 guidelines for LCA. The cost-effectiveness of CO2 capture in these scenarios will be estimated using TEA and life-cycle costing techniques. By aligning the goal, scope, and other study design parameters used while assessing the environmental and economic implications a consistent techno-enviro-economic assessment can be made for a given CO2 capture scenario.
PROJECT START DATE
September 2022 or earlier
FINANCIAL SUPPORT
All students will receive a competitive funding package to support their graduate studies. Moreover, students are also invited and supported to apply for external scholarships from FRQNT, NSERC, etc.
ELIGIBILITY
Applicants for M.Sc positions should have a bachelor’s degree in a related field (e.g. a B.Sc, B.A.Sc, B. Comm, BBA).
Applicants for the PhD positions should have a master’s degree (M.Sc. or M.A.Sc) in engineering, materials science, physics, chemistry, mathematics, or equivalent and must be fluent in English (orally as well as in written).
Fluency in French is considered to be a valuable asset.
Successful applicants must be self-starters, and critical thinkers, and should be able to work within a team.
HOW TO APPLY
Interested candidates should send an application package consisting of
A detailed CV
Cover letter
Academic records
Statement of interest
Contact details
Two references
To apply for PhD position 1
Identification, Fabrication and Testing of CO2 Photocapture Materials
Please send your application package to Prof. Ghuman (kulbir.ghuman@inrs.ca) or Prof. O’Brien (paul.obrien@lassonde.yorku.ca).
To apply for PhD position 2
Computational Materials Design for Sustainable Catalysis Applications
Please send your application package to Prof. Ghuman (kulbir.ghuman@inrs.ca) or Prof. Shock (jonathan.shock@uct.ac.za)
To apply for MSc position 1
Microscale Modeling and Materials Characterization of Porous CO2 Capture Materials
Please send your application package to Prof. Freire-Gormaly (marina.freire-gormaly@lassonde.yorku.ca) or Prof. Solomon Boakye-Yiadom (sboakyey@yorku.ca).
To apply for MSc position 2
Techno-economic and Life-cycle Assessment of CO2 capture materials
Please send your application package to Prof. Walsh (prwalsh@ryerson.ca) or Prof. O’Brien (paul.obrien@lassonde.yorku.ca).
Please mention if you are an international or a domestic (Canadian citizen/permanent resident) candidate. Any inquiries can also be sent to these emails. The team values diversity and fosters a study and research environment where individual differences are recognized, appreciated, respected, and valued. All qualified individuals are welcome to apply, especially members of visible and ethnic minorities, women, Indigenous people, and people with disabilities.