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Skip to Search Results- 3Molecular dynamics simulation
- 1CO2 solubility
- 1Clay interlayer
- 1Counter-ions
- 1Free volume theory
- 1Montmorillonite clay
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Spring 2021
It is not trivial to understand the underlying principle of polymer dynamics due to its wide range of applications in our daily lives. This thesis mainly focuses on the theory and simulation of polyethylene melts, which are not only restricted to the classic linear structure, but also extended to...
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CO2 solubility in brine in silica nanopores in relation to geological CO2 sequestration in tight formations: Effect of salinity and pH
Download2021-05-01
Li, Wenhui, Nan, Yiling, You, Qing, Jin, Zhehui
Geological CO2 sequestration during CO2 enhanced oil recovery in tight formations is a technically and economically viable option to alleviate carbon emission. In tight formations, there existsare enormous number of nano-scale pores, which can be filled with connate and injected water. In...
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Molecular dynamic study on structural and dynamic properties of water, counter-ions and polyethylene glycols in Na-montmorillonite interlayers
Download2021-01-15
Zhang, Mingshan, Mao, Hui, Jin, Zhehui
Understanding the interfacial behavior of PEGs and water-PEG interaction in montmorillonite (MMT) interlayer is of great importance to the design of high-performance drilling fluids. In this work, we apply molecular dynamic (MD) simulations to study the structural properties of three low...