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Skip to Search Results- 1Arora, Nitin
- 1Ayoub, Ahmed T
- 1Bandarage, Gunadya.
- 1Chehel Amirani, Morteza
- 1Darius, Juan
- 1Dechaine, Greg Paul
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On the atomistic simulation approach towards the estimation of the polymer/solvent mutual diffusion coefficient
DownloadSpring 2015
With increasing computational power, the multi scale simulation of materials is getting more possible. To show the ability of this method to address macro scale problems, in this work, the problem of polymer/solvent mutual diffusion was selected based on its scientific and industrial...
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On the Atomistic Simulation Approach Towards the Structural Stability of the ZnS Nanoparticles
DownloadFall 2015
Recently, ZnS quantum dots have attracted a lot of attention since they can be a suitable alternative for cadmium-based quantum dots, which are known to be highly carcinogenic for living systems. Suitable optoelectronic properties and non-toxic nature of ZnS quantum dots capacitate exiting...
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Fall 2018
The production of a tailings waste stream is ubiquitous to mining and mineral processing operations, especially in Alberta’s oil sands industry. Due to the presence of colloidal clays such as kaolinite, which do not naturally sediment in suspension, water recycling and land reclamation remain...
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Rheology of Bitumen at the Onset of Asphaltene Aggregation and its Effects on the Stability of Water-in-Oil Emulsion
DownloadFall 2015
Asphaltenes are the heaviest fraction of bitumen. Asphaltenes not only play an important role in the high viscosity of bitumen but also in the water-in-oil (W/O) emulsion stability. Nevertheless, their exact function in the stability mechanism of W/O emulsion still remains unresolved. It is...
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Spring 2014
Introduction of a binding or reacting liquid into a gas-solid fluidized bed is common in industrial processes (e.g. fluid coking, catalytic cracking, granulation). Ability of the liquid to spread and the attractive effect on particles due to liquid bridge formation alter the fluidization behavior...
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Fall 2013
Protein folding involves a stochastic search through the configurational energy landscape towards the native structure. Although most proteins have evolved to fold efficiently into a unique native structure, misfolding (the formation of non-native structures) occurs frequently in vivo causing a...
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Spring 2010
Most crude oils contain traces of vanadyl porphyrins within their asphaltene fraction. Although these metals are only present in trace quantities, they have a significant detrimental impact on crude oil processing units; therefore, their selective removal is highly desirable. The current work...
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Study of the Thermal Stability of Hydrotalcite and Carbon Dioxide Capture Capacity of Hydrotalcite-derived Mixed Oxides using Molecular Dynamics Simulation
DownloadFall 2017
Hydrotalcites (HTlcs) or layered double hydroxides (LDHs) are used in a wide range of applications such as catalysis, electrochemical sensors, wastewater treatment and carbon dioxide (CO2) capture. In this study, molecular dynamics simulation was employed to investigate carbon dioxide adsorption...
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Studying Structure-Nanoaggregation Relations of Polyaromatic Molecules in the Bulk Oil Phase and at the Oil-Water Interface Using Molecular Dynamics Simulation
DownloadSpring 2014
The detection, identification and characterization of early stage molecular association of polyaromatic molecules into nanoaggregates, where these nanoaggregates represent the first level of molecular clusters or building blocks are critical in areas such as design and fabrication of advanced 3-D...