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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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A Molecular Dynamics Study of the Dissolution of Asphaltene Model Compounds in Supercritical Fluids
DownloadSpring 2011
The demand for a new solvent to treat oilsands was behind the purpose of this project; molecular dynamics simulation was used in this study. Supercritical water, supercritical carbon dioxide and other selected organic solvents in their supercritical state were studied. Meso-tetraphenyl porphyrin...
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Fall 2013
Between the world of classical and quantum mechanics there lies a region where both are used to provide an accurate (quantum) but computationally tractable (classical) description of motion: semiclassical mechanics. The heart of semiclassical theory is the use of the classical path (or,...
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Spring 2015
In many applications, it is desired to separate unwanted fine particulates from a liquid by gravity settling. An efficient separation, however, will be feasible only if a combination of aggregation and sedimentation occurs. To understand the kinetics of such a process, a mathematical model that...
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Spring 2021
At different stages during the extraction of bitumen from the Athabasca oil sands, the removal of unwanted fine solids whether suspended in aqueous or non-aqueous liquids continues to present serious challenges to the oil sands industry. These fine solids are unique in that their colloidal...
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Fall 2012
A Lennard-Jones gas confined by two parallel solid walls was studied using non-equilibrium Molecular Dynamics, where one-dimensional, steady heat flow was introduced through the gas. Under this condition, the velocity distribution in the direction of heat flow was found to develop skewness and...
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Fall 2012
This thesis explored the properties of asphaltene nano-aggregates in crude oil and toluene based solutions and fouling at process furnace temperatures, and the links between these two phenomena. The link between stability of asphaltenes at ambient conditions and fouling at the conditions of a...
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Spring 2015
Colloidal-collector interactions are of fundamental importance in separation and filtration technologies. Here, the effect of collector grains on the behavior of colloidal particles was studied in two different experimental systems, i.e., column studies with stationary collectors and batch mixing...
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Fall 2016
α-Synuclein has been implicated in the progression of Parkinson’s disease, a neurodegenerative disorder that affects millions of people worldwide. This work reports on the structural propensity and druggability of this protein using a combination of Monte Carlo, Molecular Dynamics, and Virtual...
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Fall 2015
Microtubules are cellular structures that are crucial to many cellular functions including maintenance of cell shape, vesicular transport, and cell division. The dynamic instability of microtubules is the basic feature which enables them to do their cellular functions. Their pivotal role in cell...