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Description

An undergraduate student is sought to carry out quantum mechanical modeling research on designing next-generation energy materials. The project will encompass the atomistic modeling of electron conduction and transfer phenomena via state-of-the-art computational physics/chemistry methods. The goal of this research is to devise new methods for improving the conduction properties of energy and electronic materials, including interfacial electron transfer phenomena. This project tackles applications relating to photocatalytic and electrocatalytic metal oxides for fuel production and carbon capture. The catalytic operation of such metal oxides is dominated by electron localization and delocalization phenomena, which is essential to their operational efficiency in the aforementioned applications. By utilizing and developing atomistic simulation tools on electron conduction/transfer, the intern will gain experience in understanding how fundamental processes determine the overall high-level operational limitations of new energy technologies. This research process is based on the famed "Bell Labs Model", whereby a key scientific problem is tackled/solved with the aim of enabling a new important technology (or suite thereof). In this project, the key fundamental problem is "electron localization and delocalization" in conduction/transfer processes in metal oxides, which is common to all of the emerging technologies mentioned. The intern will work under the close training guidance of a senior doctoral student, as well as the faculty member, and gain expertise in materials modeling, physics/chemistry, materials science, and high performance computing.

Tasks per student

Simulating the electronic properties of metal oxides in contact with aqueous solutions, as well as gaining expertise with the development of atomistic simulation methods.

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Number of positions

2

Academic Level

No preference

Description

In this project we will develop a graphene-based scaffolds with controlled architecture and high porosity for applications that can range from scaffolds for bone tissue engineering to acoustics.

Tasks per student

Literature review on graphene scaffolds Fabricate and characterize graphene-based scaffolds Test their properties for desired applications to be selected along with student

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Number of positions

2

Academic Level

No preference

Description

Blasting with explosives is widely used in the mining industry for mine development and production. However, the use of explosives is associated with rigorous safety and environmental constraints. The focus of this work is on Soundless, Explosive-Free Chemical Demolition Agents ( SCDAs), a more environmentally friendly method for the fragmentation of rock. SCDAs are powdery materials where upon curing and injected in a confined space; generate enough expansive pressure to break the surrounding material such as hard rock. SCDAs are investigated as a potential alternative to explosive blasting for the fragmentation of rock in underground mines.

Tasks per student

1) Determine the effect of SCDA under high pressure confinement 2) Determine the effect of different borehole sizes filled with SCDA on hard rock 3) Determine the effect of different mine environments on the performance of chemical demolition agents

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Number of positions

1

Academic Level

Year 1

Description

Sulphate attack in concrete is a well-documented phenomenon. It occurs internally or externally when sulphate present in the environment or mixing water interferes with the natural hydration of cement. This leads to the precipitation of several key minerals that cause expansion and ultimately failure. Whereas sulphate can be restricted to a maximum threshold in concrete, no limitations can be set in binders used in mine backfill. Sulphate originating from pyrite-rich tailings present a challenge to the durability of the final product. Chemical and mineralogical tests that can identify the presence and quantity of expansive minerals in different binder recipes allow a quantitative assessment as to their durability in the field.

Tasks per student

1) Prepare samples with different binder recipes typically used in Canadian mines 2) Subject the samples to accelerated sulphate attack tests 3) Leach samples with different solutions to selectively extract the newly precipitated expansive phases for quantification

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Number of positions

1

Academic Level

Year 2

Description

Many hazardous metals can be found in waste streams, and this research project will investigate the extraction of these hazardous materials using industrial minerals including perlite and illite.

Tasks per student

The student will devise a methodology to determine the uptake of heavy metal ions by mineral adsorbants

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Number of positions

1

Academic Level

No preference

Description

Slimes coating is a serious operating issue in flotation, however it has been difficult to observe this directly. This project will use a large captive particle, and observe the particle-particle attachment, similar to bubble-particle attachment tests. This will be conducted under different pH and reagent concentrations, to determine the impact of electrostatic attraction.

Tasks per student

Develop experimental protocol to further explain the phenomena of slimes coating in mineral processing

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Number of positions

1

Academic Level

No preference

Description

Colloidal gas aphrons (CGAs) are charged microbubbles which have been investigated as a method of separating fine minerals based upon their surface charge. This undergraduate project will use different surfactants to generate CGAs and investigate separation based upon surface charge; this will be linked to surface properties. The minerals to be investigated are all relevant to Canadian mining operations.

Tasks per student

Development of a flotation procedure to float fine particles uising CGAs. Surface chemistry analyses of minerals

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Number of positions

1

Academic Level

No preference

Description

Phosphorus fertilizer is produced uniquely from phosphate rock. Phosphate rock is a phosphorus-rich ore, with the phosphorus as a component of carbonate apatite, which is a type of phosphorus biomineral. Since 2013, when the phosphate rock mine in Kapuskasing, Ontario closed, phosphate rock is no longer mined in Canada. As of 2020, phosphorus fertilizer is no longer produced in Canada. This project focuses on generating phosphorus fertilizer from municipal wastewater by cultivating purple non-sulfur bacteria with different light wavelengths and power. In some conditions, the purple non-sulphur bacteria accumulate phosphorus as polyphosphate, in synthetic and real municipal wastewater, which is rich in phosphorus. To maximize phosphorus accumulation by purple non-sulphur bacteria, pH and redox measurement and calcium and phosphate concentration measurements by colourimetry are required. Also required is the characterization of the purple non-sulphur bacteria with infra-red spectroscopy and optical microscopy. This is a sub-project in a larger research goal to encourage the growth of purple non-sulphur bacteria to generate bioplastic precursors.

Tasks per student

The student will measure the pH, redox state, calcium and phosphate concentrations of synthetic municipal wastewater in which purple non-sulphur bacteria are being cultured. They will concentrate and characterize the purple non-sulphur bacteria, and measure the total phosphorus in the bacteria. They will measure calcium and phosphate concentrations with the colourimetry technique. They will characterize the bacteria with optical imaging and infra red spectroscopy. They may also use polyacrylamide gel electrophoresis to separate extracted polyphosphate molecules..

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Number of positions

1

Academic Level

Year 2

Description

Skeletons are composed of a combination of Type I collagen, substituted carbonate apatite, non-collagenous proteins, and water. The first bone structure formed is made of unmineralized collagen that is later reinforced with mineral. The structure of the collagen in bone is known, but only recently are the locations of minerals within the collagen structure understood. This project strives to mineralize collagen scaffolds with a unique mineralization technique. Preliminary experiments involving collagen scaffolds, calcium, phosphate, and polyphosphate solutions have indicated a window of mineralization conditions that precipitate a phosphate mineral within a collagen scaffold. This project involves surveying the mineralizing solution conditions that successfully mineralize collagen scaffolds, undertaking crystallization experiments, characterizing the mineralization solutions before and after the experiments, and characterizing the mineralized scaffolds. Solution characterization involves measuring pH, calcium, phosphate, and total phosphate concentrations. Scaffold characterization involves sample preparation for histological staining, optical microscopy, Raman spectroscopy, scanning electron microscopy, and powder x-ray diffraction.

Tasks per student

The student will create collagen scaffolds, produce and characterize different mineralization solutions with pH, calcium, phosphate, and polyphosphate concentrations. They will undertake mineralization experiments, and characterize the final solutions and collagen scaffolds. The student will embed part of the scaffold in plastic to prepare it for histological staining. They will also identify the phosphate components in the scaffolds with powder x-ray diffraction and Raman spectroscopy.

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Number of positions

1

Academic Level

Year 3

Description

Li-ion batteries play a critical role in the sustainable growth of our society by enabling us to store and release clean energy whenever and wherever needed. Unfortunately, the Li-ion batteries are currently very expensive, and their performance is limited in energy density, safety, and cycle life. These issues mainly originate from the fact that the cathode material (one of the seven battery components) currently contains a large amount of 鈥榟eavy鈥� and 鈥榚xpensive鈥� transition metals, especially Cobalt. The use of Cobalt in the Li-ion battery is also problematic because more than half of Cobalt mining is currently conducted at the Republic of Congo by extorting the labor from small children. Therefore, Cobalt-free Li-ion cathode materials have been highly sought after by both academia and industry. In this project, we explore the synthesizability of various Co-free cathode materials and evaluate their electrochemical properties as advanced Li-ion cathode materials. The successful outcomes of this project will help us to substantially improve the Li-ion battery in terms of energy density, sustainability, and affordability.

Tasks per student

The student will synthesize new battery materials through solid-state synthesis or mechanochemical synthesis. Also, the student will characterize the materials' structure using X-ray tools and test their electrochemical performance as novel battery materials.

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Number of positions

2

Academic Level

No preference

Description

The proposed research will be carried out in the framework of an on going collaboration between the groups of Raynald Gauvin (Mining and Materials Eng) and Audrey Moores (Chemistry/Associate member in Mining and Materials Eng) on the topic of surface plasmon imaging in plasmonic metal nanoparticles by scanning transmission electron microscopy (STEM)-electron energy loss spectroscopy (EELS). The two groups have been studying for the last 2 years plasmon active metal nanoparticles of silver and aluminum and accumulated a lot of STEM-EELS maps of such systems under various conditions to understand the effect of coating, dielectric medium or shape on the localized surface plasmon resonance (LSPR) properties. In order to fully rationalize the patterns observed, these maps ought to be simulated with appropriate models. With simple and readily available finite element software, a first level of modeling has been developed, but it is lacking the necessary subtlety. Work is needed to include a Monte Carlo treatment in EELS simulation maps. The goal of this project is to successful implement this component to the existing software and run simulations on the existing data we have for silver and aluminum nanoparticles. Importantly and based on the current COVID-19 situation, this research project is designed to be entirely carried out virtually. This is a full time position for the summer 2020.

Tasks per student

The candidate will develop practical skills in numerical simulation and coding languages (C++, Matlab and Python). The candidate will be fully co supervised by prof Gauvin and Moores.

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Number of positions

1

Academic Level

Year 2 or Year 3