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Defining Interactions Between Deformable Dna Origami And Lipid Bilayers Through Molecular Dynamics Simulation, Zachary A. Loyd
Defining Interactions Between Deformable Dna Origami And Lipid Bilayers Through Molecular Dynamics Simulation, Zachary A. Loyd
Chancellor’s Honors Program Projects
No abstract provided.
Extraction Of Thorium Dioxide And Other Ree Oxides From Monazite Ore, Bradley M. Bennett, Julia Johnson, Kelsey Hay, Chelsea Connolly-Horton
Extraction Of Thorium Dioxide And Other Ree Oxides From Monazite Ore, Bradley M. Bennett, Julia Johnson, Kelsey Hay, Chelsea Connolly-Horton
Chancellor’s Honors Program Projects
No abstract provided.
Simulating Microbial Electrolysis For Renewable Hydrogen Production Integrated With Separation In Biorefinery, Christian James Wilson
Simulating Microbial Electrolysis For Renewable Hydrogen Production Integrated With Separation In Biorefinery, Christian James Wilson
Masters Theses
Biomass conversion to hydrocarbon fuels requires significant amounts of hydrogen. Fossil resources typically supply hydrogen via steam reforming. A new technology called microbial electrolysis cells (MECs) has emerged which can generate hydrogen from organic sources and biomass. The thermochemical route to fuels via pyrolysis generates bio-oil aqueous phase (BOAP) which can be used to make hydrogen. A process engineering and economic analysis of this technology was conducted for application in biorefineries of the future. Steam methane reforming, bio-oil separation and microbial electrolysis unit operations were simulated in Aspen Plus to derive the mass and energy balance for conversion of biomass. …
Multiscale Modeling Of Electrolytes For Energy Storage And Conversion, Fatemeh Sepehr
Multiscale Modeling Of Electrolytes For Energy Storage And Conversion, Fatemeh Sepehr
Doctoral Dissertations
Fuel cells, redox flow batteries, and secondary ion batteries are under active investigation to fulfill the requirements of efficient and sustainable energy storage and conversion technologies. The discovery of high-performance stable electrolytes that are relatively cheap and versatile is crucial to the commercialization of these electrochemical devices and necessitates a comprehensive understanding of the materials (i.e., from the atomistic to continuum levels). This dissertation is on multiscale modeling and simulations of several electrolytes under consideration in vanadium redox flow batteries (VRFBs), alkaline fuel cells (AFCs), or secondary magnesium batteries.
The hydrated structure and associated solvation Gibbs energies were determined for …
Multi-Scale Simulation Of Linear, Short-Chain Polyethylene Liquids Under Flow Conditions, Jun Mo Kim
Multi-Scale Simulation Of Linear, Short-Chain Polyethylene Liquids Under Flow Conditions, Jun Mo Kim
Doctoral Dissertations
The rheological and structural properties of polymeric liquids cannot be condensed within a single numerical model. They should be described within hierarchical, multi-level numerical models in which each sub-model is responsible for different time and length scales; atomistic, mesoscopic, and continuum. In this study, the rheological and structural properties of linear, short-chain polyethylene liquids were investigated from the classical atomistic level to the mesoscopic and continuum levels of description. At the atomistic level of description, nonequilibrium molecular dynamics (NEMD) simulations of linear, short-chain polyethylene liquids spanning from C16H24 to C128H256 were performed to advance our knowledge of fundamental characteristic of …