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Skip to Search Results- 3Choi, Phillip (Chemical and Materials Engineering)
- 3Zhang, Hao (Chemical and Materials Engineering)
- 2Semagina, Natalia (Chemical and Material Engineering)
- 2Xu, Zhenghe (Chemical and Materials Engineering)
- 1Chen, Weixing(Chemical & Materials Engineering)
- 1Choi, Phillip (Department of Chemical and Materials Engineering)
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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 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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Spring 2011
Hydrotreating is the response to the necessity of a cleaner feed for downstream processes and reduced pollution. Hydrotreating catalysts are vital in this process; hence catalyst deactivation is a key issue. The principal objective of this research was the experimental study of hydrotreating...
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Spring 2011
The objective of this thesis is to design nanoparticle (NP)-based drug delivery systems suitable for treatment of bone diseases. Two types of nanocarriers, (1) polymer coated bovine serum albumin (BSA) NPs and (2) lipid based NPs (micelles and liposomes) were investigated. The BSA NPs were...
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Design of Macromolecular Anti-cancer Drug Delivery Systems using Molecular Dynamics Simulation
DownloadFall 2015
In recent years, the application of self-associating block copolymer based drug delivery systems has attracted increasing attention as nano-sized carriers for the encapsulation and the controlled delivery of water insoluble drugs. Most of the drug formulations are based on the “trial and error”...
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Effects of Size and Coalescence on the Interfacial Dynamics of Nanoparticles: A Molecular Dynamics Study
DownloadFall 2015
Normally chemically inert materials such as Au have been found to be catalytically active in the form of particles whose size is about 1 nm. Direct and indirect observations of various types of metal nanoparticles (NPs) in this size range, under catalytically relevant conditions for fuel-cell...
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Fall 2015
Bimetallicity is known to provide synergistic effects and improve catalytic performance of monometallic counterparts in a variety of applications. Conventional impregnation methods for supported catalyst preparation do not allow for the control of bimetallic nanoparticle structure or size, which...
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Fall 2011
Molecular dynamics simulations were performed to investigate hydrogen interaction with edge dislocations during deformation in α-Fe. In particular, uniaxial tensile tests at different hydrogen concentration were conducted in a single crystal iron with high density of edge dislocations introduced...
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Mimicking the Behaviors of Oil Contaminated Clays Using Functionalized Silica Nanoparticles
DownloadSpring 2018
Fine sand and clay particles arise naturally in diverse industrial and environmental remediation contexts. Organic compounds for example from oil production or oil spills can adsorb on their surface and influence their oil water interfacial behaviors. To isolate the impact of contamination and...
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Fall 2015
Solar energy holds great potential in securing humanity’s energy future in a sustainable manner. Unfortunately, the costs of silicon photovoltaics continue to impede the use of solar energy. Polymer solar cells (PSCs) can make solar energy more affordable due to their lower production costs....