Design Optimization of Functionalized Silica-Polymer Nanocomposite through Finite Element and Molecular Dynamics Modeling (open access)

Design Optimization of Functionalized Silica-Polymer Nanocomposite through Finite Element and Molecular Dynamics Modeling

This dissertation focuses on studying membrane air dehumidification for a membrane moisture exchanger in a membrane heat pump system. The study has two parts: an optimization of membrane moisture exchanger for air dehumidification in the macroscale, and diffusion of water vapor in polymer nanocomposites membrane for humid air dehumidification in the nanoscale. In the first part of the research, the mass transport of water vapor molecules through hydrophilic silica nanochannel chains in hydrophobic polyurethane matrix was studied by simulations and experiments for different membrane moisture exchanger design configurations. The mass transport across the polymer nanocomposite membrane occurs with the diffusion of moist air water vapor molecules in the membrane moisture exchanger in a membrane heat pump air conditioning system for air dehumidification purposes. The hydrophobic polyurethane matrix containing the hydrophilic silica nanochannel chains membrane is responsible for transporting water vapor molecules from the feed side to the permeate side of the membrane without allowing air molecules to pass through.In the second part of the research, diffusion analysis of the polymer nanocomposite membrane were performed in the nanoscale for the polymer nanocomposite membrane. The diffusion phenomena through the polymer, the polymer nanocomposite without modifying the silica surfaces, and the polymer nanocomposite …
Date: August 2020
Creator: Almahmoud, Omar H. M.
System: The UNT Digital Library
Heat Transfer in Low Dimensional Materials Characterized by Micro/Nanoscae Thermometry (open access)

Heat Transfer in Low Dimensional Materials Characterized by Micro/Nanoscae Thermometry

In this study, the thermal properties of low dimensional materials such as graphene and boron nitride nanotube were investigated. As one of important heat transfer characteristics, interfacial thermal resistance (ITR) between graphene and Cu film was estimated by both experiment and simulation. In order to characterize ITR, the micropipette sensing technique was utilized to measure the temperature profile of suspended and supported graphene on Cu substrate that is subjected to continuous wave laser as a point source heating. By measuring the temperature of suspended graphene, the intrinsic thermal conductivity of suspended graphene was measured and it was used for estimating interfacial thermal resistance between graphene and Cu film. For simulation, a finite element method and a multiparameter fitting technique were employed to find the best fitting parameters. A temperature profile on a supported graphene on Cu was extracted by a finite element method using COMSOL Multiphysics. Then, a multiparameter fitting method using MATLAB software was used to find the best fitting parameters and ITR by comparing experimentally measured temperature profile with simulation one. In order to understand thermal transport between graphene and Cu substrate with different interface distances, the phonon density of states at the interface between graphene and Cu …
Date: August 2018
Creator: Jeong, Jae Young
System: The UNT Digital Library
Piezoelectric-Based Gas Sensors for Harsh Environment Gas Component Monitoring (open access)

Piezoelectric-Based Gas Sensors for Harsh Environment Gas Component Monitoring

In this study, gas sensing systems that are based on piezoelectric smart material and structures are proposed, designed, developed, and tested, which are mainly aimed to address the temperature dependent CO2 gas sensing in a real environment. The state-of-the-art of gas sensing technologies are firstly reviewed and discussed for their pros and cons. The adsorption mechanisms including physisorption and chemisorption are subsequently investigated to characterize and provide solutions to various gas sensors. Particularly, a QCM based gas sensor and a C-axis inclined zigzag ZnO FBAR gas sensor are designed and analyzed for their performance on room temperature CO2 gas sensing, which fall into the scope of physisorption. In contrast, a Langasite (LGS) surface acoustic wave (SAW) based acetone vapor sensor is designed, developed, and tested, which is based on the chemisorption analysis of the LGS substrate. Moreover, solid state gas sensors are characterized and analyzed for chemisorption-based sensitive sensing thin film development, which can be further applied to piezoelectric-based gas sensors (i.e. Ca doped ZnO LGS SAW gas sensors) for performance enhanced CO2 gas sensing. Additionally, an innovative MEMS micro cantilever beam is proposed based on the LGS nanofabrication, which can be potentially applied for gas sensing, when combined with …
Date: August 2019
Creator: Zhang, Chen
System: The UNT Digital Library

Carbon Capture Utilization for Bio-Based Building Insulation Foams

Ecological, health and environmental concerns are driving the need for bio-resourced foams for the building industry and for other applications. This is because insulation is one of the most important aspects of the building envelope. Global building insulation is expected to reach USD 27.74 billion in 2022. Conventional insulation materials currently used in buildings are made from nonrenewable products (petroleum, fiber glass). However, they yield increasing unrecyclable eco-unfriendly waste at the end of their lives; styrene and polyurethane generates over 100,000 kg of waste insulation in US alone yearly. This is because they are non-biodegradable and can remain as microplastics in the environment for 1000 years. Polyurethane contains the same amount of energy as coal. Additionally, most of the processing techniques and blowing agents used in this manufacturing of these foams are cancerous and injurious to health when inhaled. Because buildings and their construction together account for 36% of global energy use and 39% of energy-related carbon dioxide emissions annually, there is a need to develop eco-friendly foams that will serve as possible substitutes to the currently used petroleum-based foams. This dissertation examined the development and characterization of eco-friendly foams that were developed using the melt mixing technique of bio-resourced …
Date: August 2021
Creator: Oluwabunmi, Kayode Emmanuel
System: The UNT Digital Library

Lignocellulose-Based Nanobiocomposites for Water Purification

The research focuses on the synthesis and application of multifunctional lignocellulosic biomass bioadsorbent and nanobiocomposites for water purification. A bioadsorbent was prepared from kenaf fiber by self-activation without the use of any toxic chemicals in an innovative method. Silver nanoparticles were synthesized by the green route and then impregnated on the surface of kenaf-based activated carbon (KAC), and hemp fibers by heating and photoirradiation. The formation of hemp-based and kenaf-based silver nanocomposites was confirmed using an environmental scanning electron microscope and energy-dispersive x-ray spectroscopy. Low-cost benign nanoadsorbents demonstrated excellent capabilities for the anionic dye Congo red (CR) and cationic dye brilliant green (BG) degradation, inorganic heavy metals [Cu (II), Pb (II), and Cd (II)] adsorption and antibacterial activities. Antibacterial test via a modified disc diffusion method and minimum inhibitory concentrations was assessed towards the pathogenic strains of bacteria, E. coli and S. aureus. A working portable point-of-use filter was designed and developed, with the filter column encapsulated with nanobiocomposites for the removal of multi-metals and dye. Water samples collected from a wastewater treatment plant in Texas and a mining site in Mexico were used to determine the efficacy of the nanobiocomposites columned in the filter. A comparative analysis was also …
Date: August 2021
Creator: Mandal, Sujata
System: The UNT Digital Library
Investigation of Structure-Property Effects on Nanoindentation and Small-Scale Mechanical Testing of Irradiated Additively Manufactured Stainless Steels (open access)

Investigation of Structure-Property Effects on Nanoindentation and Small-Scale Mechanical Testing of Irradiated Additively Manufactured Stainless Steels

Additively manufactured (AM) 316L and 17-4PH stainless steel parts, concretely made by laser powder bed fusion (L-PBF), are characterized and micro-mechanical properties of those steels are analyzed. This study also explored and extended to proton irradiation and small-scale mechanical testing of those materials, to investigate how irradiation affects microstructural evolution and thus mechanical properties at the surface level, which could be detrimental in the long term in nuclear applications. In-depth anisotropy analysis of L-PBF 316L stainless steel parts with the variations of volumetric energy density, a combined study of nanoindentation with EBSD (electron backscatter diffraction) mapping is shown to be an alternative methodology for enriching qualification protocols. Each grain with a different crystallographic orientation was mapped successfully by proper indentation properties. <122> and <111> oriented grains displayed higher than average indentation modulus and hardness whereas, <001>, <101>, and <210> oriented grains were found to be weaker in terms of indentation properties. Based on an extensive nanoindentation study, L-PBF 17-4 PH stainless steels are found to be very sensitive to high load rates and irradiation further escalates that sensitivity, especially after a 0.25 s-1 strain rate. 3D porosity measurement via X-ray microscope ensures L-PBF stainless steel parts are of more than …
Date: August 2022
Creator: Uddin, Mohammad Jashim
System: The UNT Digital Library
Development of an Interpolation-Free Sharp Interface Immersed Boundary Method for General CFD Simulations (open access)

Development of an Interpolation-Free Sharp Interface Immersed Boundary Method for General CFD Simulations

Immersed boundary (IB) methods are attractive due to their ability to simulate flow over complex geometries on a simple Cartesian mesh. Unlike conformal grid formulation, the mesh does not need to conform to the shape and orientation of the boundary. This eliminates the need for complex mesh and/or re-meshing in simulations with moving/morphing boundaries, which can be cumbersome and computationally expensive. However, the imposition of boundary conditions in IB methods is not straightforward and numerous modifications and refinements have been proposed and a number of variants of this approach now exist. In a nutshell, IB methods in the literature often suffer from numerical oscillations, implementation complexity, time-step restriction, burred interface, and lack of generality. This limits their ability to mimic conformal grid results and enforce Neumann boundary conditions. In addition, there is no generic IB capable of solving flow with multiple potentials, closely/loosely packed structures as well as IBs of infinitesimal thickness. This dissertation describes a novel 2$ ^{\text{nd}} $ order direct forcing immersed boundary method designed for simulation of two- and three-dimensional incompressible flow problems with complex immersed boundaries. In this formulation, each cell cut by the IB is reshaped to conform to the shape of the IB. IBs …
Date: August 2022
Creator: Kamau, Kingora
System: The UNT Digital Library