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Articles 2941 - 2970 of 14253
Full-Text Articles in Chemical Engineering
Reactive Thin Film Polymers And Thin Film Composite Membranes For The Rapid Screening Of Uranium Isotopes, Abenazer W. Darge
Reactive Thin Film Polymers And Thin Film Composite Membranes For The Rapid Screening Of Uranium Isotopes, Abenazer W. Darge
All Dissertations
Traditional radiochemistry approaches for the detection of trace-level alpha-emitting radioisotopes in water require lengthy offsite sample preparations and do not lend themselves to rapid quantification. Therefore, a novel platform is needed that combines onsite purification, concentration, and isotopic screening with a fieldable detection system. My dissertation research objective was to develop novel reactive thin polymer films and thin film composite membranes for the selective separation of uranium from environmental water followed by direct isotopic analysis by alpha spectroscopy. Chapter 1 reviews progress made on uranium separation from aqueous matrices and discusses methods used for the determination of isotopic composition.
Chapter …
Sanitary Ware Waste As A Source For A Valuable Biodiesel Catalyst, Mai H. Roushdy
Sanitary Ware Waste As A Source For A Valuable Biodiesel Catalyst, Mai H. Roushdy
Chemical Engineering
Biofuel is a type of fuel that is made from biomass using modern techniques rather than the relatively slow geological processes that lead to the development of fossil fuels. In Europe, biodiesel is the most widely used biofuel. The sanitary ware industry generates a lot of hazardous waste, such as waste gypsum molds. These molds are broken, pulverized, and reacted with NaCO3 to make CaCO3, which is then heated to produce CaO. The resulting CaO catalyzes the reaction between waste frying oil and methanol for biodiesel synthesis. To evaluate the effect of reaction parameters on the production of biodiesel, the …
Isolation And Production Of Tandem Collagen Binding Domain From Clostridial Collagenase Colg And Developments In C1q Reagent Production For Future Molecule Characterization Work, Stephanie Beitle
Chemical Engineering Undergraduate Honors Theses
This thesis covers a two part project: the production methods to create a double collagen binding domain molecule with a growth factor for wound healing applications and the development of a new in-house production method for isolating C1q from bovine blood. The wound healing molecule was created using transformation, sonication, and purification before being tested via electrophoresis SDS page and Western blots to confirm the molecule’s presence. The C1q in-house production method utilizes an ultrafiltration flow cell rather than dialysis at a critical point in the process, allowing for researchers to not only be able to use a single small …
Layered Epoxide-Amine/Boron Nitride/Graphene Nanocomposites For Enhanced Multifunctional Shielding, Alyssa J. Necaise
Layered Epoxide-Amine/Boron Nitride/Graphene Nanocomposites For Enhanced Multifunctional Shielding, Alyssa J. Necaise
Honors Theses
The development of high-power electromagnetic wave sources in the modern era has the ability to interfere with aircraft electronics and cause localized heating – necessitating advanced materials for electromagnetic interference (EMI) and thermal shielding. Multifunctional nanoparticles dispersed within polymer matrices can combat these issues; however, the best way to combine thermally and electrically conductive species to maximize electromagnetic interference shielding and thermal shielding is undetermined. Multifunctional layered epoxide/amine nanocomposites were prepared from tetra and octafunctional epoxide monomers (TGDDM and SU-8), 4,4-DDS tetrafunctional amine curative, and 1 wt.% hexagonal boron nitride nanoplatelets and/or 1 wt.% graphene nanoplatelets to form monolayer and …
Investigating The Effect Of Polymer Hydrogels On The Antimicrobial Properties Of Activated Carbon Through The Utilization Of Bacterial, Viral, And Parasitic Microorganisms, Zoe Gunter
Honors Theses
Activated carbon (AC) has long been utilized in biomedical applications due to its innate antimicrobial characteristics. However, little is understood about the mechanism of action that allows AC to prohibit the propagation of different pathogen species. To further ascertain these characteristics and how they affect the propagation of pathogens, procedures were designed with bacterial, viral, and parasitic agents which were utilized in conjunction with varying concentrations of polymer hydrogels to examine the antimicrobial efficacy of AC. The studies performed for this thesis were conducted employing coconut-based AC and Noveon® AA-1 Polycarbophil USP or Carbopol® 974P NF hydrogels which, …
Fate And Transport Of Toxoplasma Gondii Oocysts In Saturated Porous Media: Effects Of Electrolytes And Natural Organic Matter, Christian Pullano
Fate And Transport Of Toxoplasma Gondii Oocysts In Saturated Porous Media: Effects Of Electrolytes And Natural Organic Matter, Christian Pullano
All Theses
Toxoplasma gondii is a pathogenic microorganism that is currently a threat to public health. Understanding the fate and transport of T. gondii through the soil and groundwater is vital in determining the risk it poses to water resources and human health. The physico-chemical interactions between the groundwater and the bio colloid within an aquifer will dictate its mobility and its ability to infect humans. This research examines how various naturally occurring groundwater chemistries containing organic compounds and monovalent and divalent salt solutions will alter the fate and transport of T. gondii. Solutions containing various concentrations of humic acid, fulvic …
Preparation, Cure, And Characterization Of Cyanate Ester-Epoxy Blends, Donald A. Klosterman
Preparation, Cure, And Characterization Of Cyanate Ester-Epoxy Blends, Donald A. Klosterman
Chemical and Materials Engineering Faculty Publications
Cyanate ester resins are often blended with lower cost epoxy monomers in order to modify the cost, toughness, and processing characteristics. There are also several choices of catalysts that can be used to improve processing, namely by reducing the cure temperature. This study was undertaken to illustrate how a designed experiment approach can be used to systematically investigate a wide range of material combinations and illuminate the basic cure behavior of some simple cyanate ester – epoxy blend combinations. Two commercial cyanate ester resin products were obtained. Each was blended with a bisphenol F based epoxy resin at two different …
Erythrocyte Deformability In Response To Glucose Using Liquid Crystals, Jayden Goff
Erythrocyte Deformability In Response To Glucose Using Liquid Crystals, Jayden Goff
Biomedical Engineering Undergraduate Honors Theses
The worldwide prevalence of diabetes mellitus is rapidly increasing with about 9.3% of the adult population living with the disease. People with diabetes have trouble regulating their blood glucose levels which typically leads to hyperglycemia. Under normal physiological conditions, erythrocytes can undergo deformations in response to shear stress when passing through capillaries with a smaller diameter. Poorly managed hyperglycemia can lead to the glycosylation of erythrocyte membrane proteins and hemoglobin. This glycosylation leads to increased rigidity of the cells along with decreased deformability in response to mechanical stress; therefore, these cells have a higher susceptibility of getting stuck in the …
Engineering Lewis Acidic Materials For Biomass Conversion And Battery Applications., Md Anwar Hossain
Engineering Lewis Acidic Materials For Biomass Conversion And Battery Applications., Md Anwar Hossain
Electronic Theses and Dissertations
My long-term goal is to develop catalytic systems to produce renewable energy for a sustainable society. The overall research objective of my dissertation is to advance understanding of Lewis acidic materials for (1) conversion of renewable lignin into phenolics and (2) enhanced cycling stability of lithium metal batteries to safely store renewable electricity from wind and solar, thereby laying the groundwork for our transition to a sustainable society. Petroleum is a conventional feedstock for current transportation fuels (gasoline, diesel, and jet fuels). However, petroleum is a finite resource and produces greenhouse gases (CO2 and CH4) upon processing, …
Structural, Charge Transport, Gas Sensing, Magnetic, Pseudocapacitive, And Electrocatalytic Properties Of Perovskite Oxides., Surendra Bahadur Karki
Structural, Charge Transport, Gas Sensing, Magnetic, Pseudocapacitive, And Electrocatalytic Properties Of Perovskite Oxides., Surendra Bahadur Karki
Electronic Theses and Dissertations
Perovskites are functional materials with the general formula ABO3 (A = alkali, alkaline earth or lanthanoid cations and B = transition metal or main group cations). These materials are marked by a variety of crystal structures and interesting properties such as colossal magnetoresistance, ferroelectricity, multiferroicity, superconductivity, pseudocapacitance, gas sensing, charge transport, and electrocatalytic properties. The formula of perovskite can be written as AA’BB’O6, when there is ordering between two cations over A and B-sites. Such compounds are called double perovskite oxides. Some amount of oxygen could be lost from crystal structure without decomposition of the phase. Such …
Analyzing The Surface Chemistry Of Ni-Fe Hydroxide Alloy Nanoparticles As Catalysts For The Oxygen Evolution Reaction By X-Ray Photoelectron Spectroscopy Analysis, Lauren B. Shepard
Analyzing The Surface Chemistry Of Ni-Fe Hydroxide Alloy Nanoparticles As Catalysts For The Oxygen Evolution Reaction By X-Ray Photoelectron Spectroscopy Analysis, Lauren B. Shepard
Chemical Engineering Undergraduate Honors Theses
Water electrolysis has been proposed as a renewable source of hydrogen, a possible replacement to harmful fossil fuels. This process can be broken down into two half reactions, the hydrogen evolution reaction and the oxygen evolution reaction. Because the oxygen evolution reaction has slow kinetics and a high overpotential to overcome, a catalyst is needed to speed up the kinetics and ensure faster and more efficient production of molecular hydrogen. The use of Ni-Fe hydroxide alloy nanoparticles as a catalyst has been shown to significantly improve the efficiency of the reaction by decreasing the overpotential, making the process more energy …
Ultrafiltration Membranes Functionalized With Copper Oxide And Zwitterions For Fouling Resistance, Cannon Hackett, Mojtaba Abolhassani, Lauren Greenlee, Audie K. Thompson
Ultrafiltration Membranes Functionalized With Copper Oxide And Zwitterions For Fouling Resistance, Cannon Hackett, Mojtaba Abolhassani, Lauren Greenlee, Audie K. Thompson
Chemical Engineering Faculty Publications and Presentations
Polymeric membrane fouling is a long-standing challenge for water filtration. Metal/metal oxide nanoparticle functionalization of the membrane surface can impart anti-fouling properties through the reactivity of the metal species and the generation of radical species. Copper oxide nanoparticles (CuO NPs) are effective at reducing organic fouling when used in conjunction with hydrogen peroxide, but leaching of copper ions from the membrane has been observed, which can hinder the longevity of the CuO NP activity at the membrane surface. Zwitterions can reduce organic fouling and stabilize NP attachment, suggesting a potential opportunity to combine the two functionalizations. Here, we coated polyethersulfone …
Hydration Of High-Alumina Calcium Aluminate Cements With Carbonate And Sulfate Additives, Jonathan Lapeyre, Sai Akshay Ponduru, Monday Uchenna Okoronkwo, Hongyan Ma, Aditya Kumar
Hydration Of High-Alumina Calcium Aluminate Cements With Carbonate And Sulfate Additives, Jonathan Lapeyre, Sai Akshay Ponduru, Monday Uchenna Okoronkwo, Hongyan Ma, Aditya Kumar
Chemical and Biochemical Engineering Faculty Research & Creative Works
This study investigated the influence of limestone (LS) and calcium sulfate (C$) mineral additives on the hydration kinetics of high-α-Al2O3 calcium aluminate cement (CAC) utilizing experimental techniques and thermodynamic simulations. Increasing the replacement level of limestone or calcium sulfate increased the cumulative heat of the hydration reaction. The limestone exhibited limited acceleratory effects to the CAC hydration kinetics due to the coarseness of the powder. The coarse particle size distribution limited any heterogenous nucleation that would have occurred with a finer particle size as well as the intrinsic insolubility kinetically limits the formation of monocarboaluminate phases. Conversely, …
Development Of Upconverting Films Containing Singlet Sink, Blake Mckay
Development Of Upconverting Films Containing Singlet Sink, Blake Mckay
Honors Theses
Upconversion is the conversion of light from a longer wavelength to a shorter wavelength. This technique has a wide range of applications in solar technology, bioimaging, drug delivery, and many other fields.1 In this study, a three-part upconverting system was developed including a component termed singlet sink in order to increase upconversion efficiency. The components of this system included Palladium (II) Octaethylporphrin (PdOEP), pyrenebutanol, and 9-phenyl-10-(p-tolylethynyl)-anthracene (PTEA). A procedure was developed in order to create and process films containing these three materials dispersed in a poly(methyl methacrylate) (PMMA) matrix. Upconversion was analyzed in both solution and the …
Lithospheric Structure Underneath The Archean Tanzania Craton And Adjacent Regions From A Joint Inversion Of Receiver Functions And Rayleigh-Wave Phase Velocity Dispersion, Tuo Wang, Stephen S. Gao, Qiuyue Yang, Ling Chen, Kelly H. Liu
Lithospheric Structure Underneath The Archean Tanzania Craton And Adjacent Regions From A Joint Inversion Of Receiver Functions And Rayleigh-Wave Phase Velocity Dispersion, Tuo Wang, Stephen S. Gao, Qiuyue Yang, Ling Chen, Kelly H. Liu
Geosciences and Geological and Petroleum Engineering Faculty Research & Creative Works
Lithospheric structure beneath the Archean Tanzania craton and adjacent regions, including segments of the East African rift system (EARS) and the Proterozoic-early Paleozoic orogenic belts between the EARS and the craton, is imaged by a joint inversion of receiver functions and Rayleigh wave dispersion measurements derived from ambient seismic noise for shorter periods and teleseismic data for longer periods. Our resulting crustal thickness, crustal VP= VS measurements and 3D shear-wave velocity model for the upper 120 km show a clear spatial correspondence with major surficial geological features. The new results suggest the presence of a mafic layer in the bottom …
Study Of Gas Holdup Distribution In Cylindrical Split Airlift Reactor By Using Gamma-Ray Densitometry (Grd), Abbas J. Sultan, Laith S. Sabri, Hasan Shakir Majdi, Shadha K. Jebur, Muthanna H. Al-Dahhan
Study Of Gas Holdup Distribution In Cylindrical Split Airlift Reactor By Using Gamma-Ray Densitometry (Grd), Abbas J. Sultan, Laith S. Sabri, Hasan Shakir Majdi, Shadha K. Jebur, Muthanna H. Al-Dahhan
Chemical and Biochemical Engineering Faculty Research & Creative Works
The local gas holdup details and behaviors in the cylindrical split airlift column by using an unconventional gamma-ray densitometry (GRD) measurement in non-invasive manner technique was investigated for the first time in this work for such kind of airlift column. With different gas velocities, 1, 2, and 3 cm/s, at three various axial planes (different levels) in z = 3, 60, and 110 cm were studied for local distribution in radial gas holdup profiles. The distribution in gas–liquid phases (air-water system) in the entire split reactor column, in the rising and descending sides, including their behavior in the upper and …
Recovery Of Degraded Ni-Rich Nmc811 Particles For Lithium-Ion Batteries, Han Yu, Yan Gao, James Kirtley, Gabriel Borgmeyer, Xiaoqing He, Xinhua Liang
Recovery Of Degraded Ni-Rich Nmc811 Particles For Lithium-Ion Batteries, Han Yu, Yan Gao, James Kirtley, Gabriel Borgmeyer, Xiaoqing He, Xinhua Liang
Chemical and Biochemical Engineering Faculty Research & Creative Works
Nickel-rich cathode materials attract a lot of attention due to their high energy density. However, their sensitivity to air and moisture hinders their practical applications. Exposing Ni-rich NMC in the air will produce by-products that are not conducive to lithium-ion transmission. Water washing can be used to remove by-products on the surface, but it can also introduce new problems, such as the generation of NiO on the particle surface, which will reduce the electrochemical performance of the material. In this study, Al2O3atomic layer deposition (ALD) was applied on degraded NMC811 particles to recover the electrochemical performance …
Process Evaluation And Kinetic Analysis Of 3d-Printed Monoliths Comprised Of Cao And Cr/H-Zsm-5 In Combined Co2 Capture-C2h6 Oxidative Dehydrogenation To C2h4, Khaled Baamran, Shane Lawson, Ali A. Rownaghi, Fateme Rezaei
Process Evaluation And Kinetic Analysis Of 3d-Printed Monoliths Comprised Of Cao And Cr/H-Zsm-5 In Combined Co2 Capture-C2h6 Oxidative Dehydrogenation To C2h4, Khaled Baamran, Shane Lawson, Ali A. Rownaghi, Fateme Rezaei
Chemical and Biochemical Engineering Faculty Research & Creative Works
In this study, dual-function materials (DFMs) comprised of CaO and Cr/H-ZSM-5 were formulated in 3D-printed monolithic structures and investigated in a combined process for capture and utilization of CO2 in oxidative dehydrogenation of C2H6 to C2H4 (CO2-ODHE). Various formulation strategies were employed to fabricate these DFM structures. Two bed designs were considered: i) a layered-bed in which adsorbent (CaO) and catalyst were printed separately and stacked on top of each other, and ii) a single-layer bed where the adsorbent-catalyst materials were 3D-printed into a singular monolith and loaded into the bed …
Random Trilobe Packing Using Rigid Body Approach And Local Gas-Liquid Hydrodynamics Simulation Through Cfd With Experimental Validation, Binbin Qi, Sebastián Uribe, Omar Farid, Muthanna H. Al-Dahhan
Random Trilobe Packing Using Rigid Body Approach And Local Gas-Liquid Hydrodynamics Simulation Through Cfd With Experimental Validation, Binbin Qi, Sebastián Uribe, Omar Farid, Muthanna H. Al-Dahhan
Chemical and Biochemical Engineering Faculty Research & Creative Works
It is quite difficult to measure the local information of the gas/liquid flow inside random packed extrudate catalyst beds in a large scale. Obtaining the local information through computational fluid dynamic (CFD) simulations in such system is also difficult due to the complexity of random particle packing and two-phase flow simulation. An efficient packing scheme was implemented to randomly pack 2917 trilobe particles (10 cm in height) in a 2-inch column to represent the trickle bed reactor (TBR) based on the rigid body approach. The generated geometry was used to define the computational domain for the two-phase hydrodynamics simulation based …
Liquid And Solids Phase Backmixing In A Bubble And Slurry Bubble Column Using A Virtual Tracer Response Methodology Based On The Trajectory Data Of The Radioactive Particle Tracking (Rpt) Technique, Lu Han, Premkumar Kamalanathan, Muthanna H. Al-Dahhan
Liquid And Solids Phase Backmixing In A Bubble And Slurry Bubble Column Using A Virtual Tracer Response Methodology Based On The Trajectory Data Of The Radioactive Particle Tracking (Rpt) Technique, Lu Han, Premkumar Kamalanathan, Muthanna H. Al-Dahhan
Chemical and Biochemical Engineering Faculty Research & Creative Works
Virtual tracer response methodology developed based on the trajectory data of the computer aided radioactive particle tracking (CARPT) technique was demonstrated. The demonstrated virtual tracer technique has advantages of non-invasiveness, near perfect injection/sampling, and flexibility in choosing the sampling/injection boundaries in a specific spatial pattern. With the developed virtual tracer technique, liquid and solids back mixing was investigated at the conditions mimicking Fischer-Tropsch synthesis. Experiments were conducted at different pressure, solids loading, and superficial gas velocity. The axial dispersion model (ADM) and recirculation and cross flow dispersion (RCFD) models were used to model the liquid mixing. Transient sedimentation dispersion model …
Review Of Biomechanical Studies And Finite Element Modeling Of Sternal Closure Using Bio-Active Adhesives, Amatulraheem Al-Abassi, Marcello Papini, Mark R. Towler
Review Of Biomechanical Studies And Finite Element Modeling Of Sternal Closure Using Bio-Active Adhesives, Amatulraheem Al-Abassi, Marcello Papini, Mark R. Towler
Chemical and Biochemical Engineering Faculty Research & Creative Works
The most common complication of median sternotomy surgery is sternum re-separation after sternal fixation, which leads to high rates of morbidity and mortality. The adhered sternal fixation technique comprises the wiring fixation technique and the use of bio-adhesives. Adhered sternal fixation techniques have not been extensively studied using finite element analysis, so mechanical testing studies and finite element analysis of sternal fixation will be presented in this review to find the optimum techniques for simulating sternal fixation with adhesives. The optimal wiring technique should enhance bone stability and limit sternal displacement. Bio-adhesives have been proposed to support sternal fixation, as …
A New Look At Landslides Of The Vermilion And Echo Cliffs, Northern Arizona, Conor M. Watkins, J. David Rogers
A New Look At Landslides Of The Vermilion And Echo Cliffs, Northern Arizona, Conor M. Watkins, J. David Rogers
Geosciences and Geological and Petroleum Engineering Faculty Research & Creative Works
The Vermilion and Echo Cliffs form a nearly continuous escarpment more than 160 km long within the Colorado Plateau physiographic province of North America. The cliffs overlie the Marble Platform in northern Arizona and are located along the Colorado River, just upstream of the Grand Canyon. Large rotational block landslides mantle the erosional escarpment along most of its extent. Although these landslides have been noted for over 100 years, their likely origin has never been explained. Landslide failure surfaces appear to be influenced by the Petrified Forest Member of the Triassic Chinle Formation, a shale layer containing smectite clay weathered …
Drug-Facilitated Sexual Assault At The University Of Arkansas, Barrett Weidman
Drug-Facilitated Sexual Assault At The University Of Arkansas, Barrett Weidman
Chemical Engineering Undergraduate Honors Theses
This work was written to fulfill two main purposes. First, to help survivors of Drug-Facilitated Sexual Assault (DFSA) process their experience by compiling the toxicological, pharmacological, and distribution of the three most used date-rape drugs. Second, to gauge the knowledge and interest of University of Arkansas students regarding drug impairments, sexual assault education, and bystander intervention training. A survey was conducted for the latter and revealed that 91.6% of students believe the University’s existing sexual assault prevention education and bystander intervention training have room for improvement. Also, 37.1% of students who have received this education report that the programming does …
Free Convection Heat Transfer From Plates, Alexa Moreno
Free Convection Heat Transfer From Plates, Alexa Moreno
Chemical Engineering Undergraduate Honors Theses
The purpose of this honors thesis is to create an experiment for the CHEG Lab I course. This report explains the motivation for creating this heat convection experiment, the results of performing the experiment, and provides recommendations for future work on this experiment. Multiple experiments were performed to assess materials and parameters to be investigated. It was determined that a 0.5” plate has smaller percent error and accommodates for the desired timeframe for a Lab I experiment compared to the first plate used (1.5” thickness). Recommendations for expanding on this project include adding experiments using vertical geometry for heat convection …
Quantification Of Slit-Like Pores Through Using Liquid Crystals As A Template, Dominique Savage
Quantification Of Slit-Like Pores Through Using Liquid Crystals As A Template, Dominique Savage
Chemical Engineering Undergraduate Honors Theses
The purpose of this research is to manufacture a membrane with slit-like pores to achieve particle filtration. Slit-like pore membranes are preferred over conventional membranes with cylindrical pores since slit-like pores have two length scales that can be manipulated to better control cut off and flux through the membrane. This project focuses on manufacturing slit-like pore membranes through the use of two liquid crystals, 1,4-bis[4-(6-acryloyloxyhexyloxy)benzoyloxy]-2-methylbenzene (RM257) and 4-Cyano-4′-pentylbiphenyl (5CB). This method for making slit-like pores has not been widely investigated nor has the morphology of the membrane pores and mechanical properties of such a membrane been addressed. It was found …
Synthesis And Phase Transition Characterization Of Liquid Crystal Membranes With Slit-Like Pores, Isaac Hopwood
Synthesis And Phase Transition Characterization Of Liquid Crystal Membranes With Slit-Like Pores, Isaac Hopwood
Chemical Engineering Undergraduate Honors Theses
Membranes with slit-like pores have been of interest for some time due to their ability to reject smaller particles than traditional cylindrical-pored membranes at the same fluid flux. However, using liquid crystals as a template for this sort of membrane has not been thoroughly investigated. In this study, the liquid crystal mixture of RM257 (2-Methyl-1,4-phenylene bis(4-(3-(acryloyloxy)propoxy)benzoate)) and 5CB (4-Cyano-4'-pentylbiphenyl) for the purpose of manufacturing membranes with slit-like pores, the phase transition behavior of this LC mixture at various mole fractions of RM257, and the impact of mole fraction of RM257 in the liquid crystal (LC) mixture and membrane manufacturing conditions …
Diffusion Of A Salt In An Aqueous Media, Aldaly Pineda Hernandez
Diffusion Of A Salt In An Aqueous Media, Aldaly Pineda Hernandez
Chemical Engineering Undergraduate Honors Theses
Diffusion is defined as the net transfer of a molecule from a high concentration region to a low concentration region. The concept of diffusion is used in a very important process called "desalination." Desalination is a separation process used to reduce the salt content dissolved in brackish water to make it suitable for human consumption, irrigation, and industrial use.
In desalination plants, it is important to monitor the constantly changing salt content of water, partly due to the diffusive effect. The main purpose of this experiment was to study the diffusion of NaCl in water at two NaCl concentrations. The …
Phonon Thermodynamics Of Bcc Zirconium With Machine Learning, Vanessa Judith Meraz
Phonon Thermodynamics Of Bcc Zirconium With Machine Learning, Vanessa Judith Meraz
Open Access Theses & Dissertations
First principles-based simulations have allowed us to explore emerging phenomena in a variety of systems. Its steadfast practicality has led to an increase in molecular and materials design ranging from drug discovery to planetary formation. However ubiquitous in its field, one of its biggest drawbacks is its computational cost, notably so in molecular dynamics simulations. To counter this setback, there have been many leading efforts in machine learning methods, whether it be in algorithms or network architectures. Our contribution uses an active learning algorithm paired with a tensor field network, e3nn. By steadily feeding new data points to our model, …
Development Of Porous Solid Acid Catalysts For Lignocellulose And Plastic Upcycling., Mohammad Shahinur Rahaman
Development Of Porous Solid Acid Catalysts For Lignocellulose And Plastic Upcycling., Mohammad Shahinur Rahaman
Electronic Theses and Dissertations
My goal is to develop chemical processes for transforming waste to solve environmental problems and enhance sustainability. Environmental problems such as pollution and massive amounts of waste are the main drivers that stimulate my research ideas. I focused on creating novel, efficient catalytic processes for converting polymeric waste "feedstocks" into high-value chemicals by integrating my expertise in catalysis, materials science, and synthetic chemistry to develop porous solid catalytic materials. During my Ph.D., I focused on two polymeric feedstocks, lignocellulose, and discarded plastic.
Early in my Ph.D. journey, I focused on catalytic upcycling of lignocellulose. Lignocellulosic biomass is cost-effective, abundant, and …
Materials And Interfaces For Electrocatalytic Hydrogen Production And Utilization., Alexander Jiya Gupta
Materials And Interfaces For Electrocatalytic Hydrogen Production And Utilization., Alexander Jiya Gupta
Electronic Theses and Dissertations
Mass industrialization over the last few centuries has created a global economy which is dependent upon fossil fuels to satisfy an exponentially increasing demand for energy. Aside from the possible depletion of this finite resource, the combustion of fossil fuels releases greenhouse gases into the atmosphere which cause the global temperature to rise – a phenomenon which has already begun to create geologic and geopolitical instability and shows no signs of abatement. One proposed method to rid humanity of its dependence on fossil fuels is to use green hydrogen as an energy carrier. In this scheme, excess electricity from a …