Browsing by Author "Clare McCabe"
Now showing items 1-20 of 23
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Zhao, Honggang (2007-02-16)Department: Chemical EngineeringCHEMICAL ENGINEERING A STATISTICAL ASSOCIATING FLUID THEORY FOR POLAR AND ELECTROLYTE FLUIDS HONGGANG ZHAO Dissertation under the direction of Professor Clare McCabe The ability to accurately predict the thermodynamic ...
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French, William Randal (2013-04-09)Department: Chemical EngineeringMolecular electronics (ME) is an emerging field with the potential to miniaturize electronic devices beyond what is possible with current top-down approaches. In ME, molecular sized building blocks self-assemble together ...
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Peng, Yun (2007-12-07)Department: Chemical EngineeringDEVELOPMENT AND APPLICATIONS OF A HETERO-BASED STATISTICAL ASSOCIATING FLUID THEORY <P> YUN PENG <P> Dissertation under the direction of Professor Clare McCabe <P> Understanding the thermodynamic properties of chemical ...
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Gai, Lili (2014-05-27)Department: Chemical EngineeringPhase transitions (i.e. transitions from one state to another) play a crucial role in most natural processes, as well as industrial operations such as evaporation. Molecular simulation has emerged as an important tool for ...
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Moore, Timothy Craig (2018-01-11)Department: Chemical EngineeringSkin plays the vital role in human physiology of providing a barrier from the external environment. This barrier function is localized to the lipid matrix of the outermost layer, the stratum corneum. While much has been ...
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Lewis, James Benjamin (2012-12-05)Department: Chemical EngineeringDue to small surface area to volume ratios, nanoscale devices can exhibit dominant surface forces that can quickly degrade un-lubricated contacting surfaces. While fluorinated materials have been widely used as lubricants ...
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Vilt, Steven Gerard (2011-08-30)Department: Chemical EngineeringFuture innovations in a wide range of fields, from telecommunications to biomedical devices, will further push the boundaries of miniaturization and create a greater demand for microelectromechanical systems (MEMS). In ...
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Ruppender, Nazanin Sabine (2011-04-14)Department: Chemical EngineeringRecent studies suggest that cancer cells undergo genotypic and phenotypic changes in response to the rigidity of the extracellular matrix (ECM). These studies have focused largely on non-mineralized tissues in the kPa range ...
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Payne, Christina Marie (2007-12-13)Department: Chemical EngineeringWe report a molecular-simulation based modeling of transport and orientation properties of single-stranded DNA molecules in a nanoscale channel as a part of a larger nanoscale device designed for rapid DNA sequencing. The ...
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Zhang, Yu (2019-05-15)Department: Chemical EngineeringElectric double layer capacitors (EDLCs) are energy storage devices that are the subject of active research due to high power density, moderate energy density, broad operating temperature windows, and long cycle lifetimes. ...
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Dyer, Peter James (2008-11-18)Department: Chemical EngineeringThe effect of polarization and its importance to the correct reproduction of the behavior of aqueous solutions is presented. First, the effect of the addition of polarization on non-polar solutes in both pure water and ...
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Thompson, Matthew White (2019-09-20)Department: Chemical EngineeringIonic liquids are organic salts that exist in the liquid state near ambient conditions. They exhibit remarkable physical properties, including low vapor pressure and high thermal, chemical, and electrochemical stability, ...
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Yang, Alexander Hao (2020-01-20)Department: Chemical EngineeringLipid bilayers occupying the gel and fluid phases are examined using molecular dynamics simulation. Molecular dynamics simulations of gel-phase bilayers comprised of varying compositions of distearoylphosphatidylcholine, ...
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Pu, Qing (2008-03-13)Department: Chemical EngineeringWe report the mechanical elongation of a gold nanowire in vacuum and in solvents via molecular simulation. First, by combining molecular dynamics (MD) simulations with density-functional-theory (DFT) calculations, we ...
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Predicting the Thermodynamic Properties of Complex Molecular Systems for Environmental Applications Haley, Jessica Deloris (2015-07-21)Department: Chemical EngineeringThe call for the advancement in our ability to design cleaner technologies, as well as mitigate our ecological footprint, requires the investigation of new energy related systems. Fundamental knowledge of the thermodynamics ...
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Das, Gaurav (2015-07-31)Department: Chemical EngineeringOver the last 25 years, the statistical associating fluid theory (SAFT) has been developed and refined in order to describe the thermophysical properties and phase behavior of a wide range of pure fluids. These include for ...
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Brady, Sonia Karoline (2017-03-30)Department: Chemical EngineeringA fundamental understanding of biology is necessary for the engineering of biological systems and the successful employment of process and product development across a variety of industries. In an effort to truly understand ...
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Redmill, Patrick Scott (2008-12-30)Department: Chemical EngineeringCHEMICAL ENGINEERING PROBING THE SOLUBILITY OF SELECTED NANOSCALE BUILDING BLOCKS USING MOLECULAR SIMULATION Patrick Scott Redmill under the supervision of Peter T. Cummings and Clare McCabe The solubility of a variety ...
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Li, Bian (2018-03-24)Department: ChemistryHelical membrane proteins (HMPs) play essential roles in various biological processes. Despite their prevalence in the genome, a very small portion (~2%) of structures in the Protein Data Bank are HMPs, partially due to ...
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Ji, Changjiang (2007-07-18)Department: Civil EngineeringThe major findings of this thesis are that free surfaces have enabled nanowires to show many unusual behavior and mechanical properties at nanoscale, including shape memory and pseudoelastic behavior, surface elasticity ...