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Full-Text Articles in Engineering

Hydrodynamics Of Liquid-Solid And Three-Phase Inverse Circulating Fluidized Beds, Tian Nan Oct 2019

Hydrodynamics Of Liquid-Solid And Three-Phase Inverse Circulating Fluidized Beds, Tian Nan

Electronic Thesis and Dissertation Repository

The hydrodynamics of inverse liquid-solid circulating fluidized bed (ILSCFB) is experimentally studied in a 5.4 m tall and 0.076 m ID column. 5 types of low density particles are investigated with different particle terminal velocities.

Solids holdup distribution is found to be uniform in a wide range of superficial liquid velocities and over 10 solid circulation rates. Average solids hold is not sensitive to particle properties. Clustering phenomenon is found to be significant affecting the slip velocity in the ILSCFB. And the cluster phenomenon is directly related to particle R­eynolds number (Ret). Particles with little Ret ...


Progress Toward Durable Icephobic Materials, Matthew J. Coady Oct 2019

Progress Toward Durable Icephobic Materials, Matthew J. Coady

Electronic Thesis and Dissertation Repository

Ice accumulation is a major engineering challenge in many fields including aerospace, power generation, transportation, and infrastructure. A variety of solutions are being researched to address this challenge. Perhaps the most promising method of combating ice accumulation is by applying coatings with low values of interfacial ice adhesion strength, τice. Icephobic materials are those with ice adhesion below 100 kPa, and it has been shown that passive delamination can occur on surfaces with τice below 20 kPa. While various low adhesion surfaces have been prepared, durability concerns pervade applications where surfaces experience repeated icing or freeze-thaw cycles, mechanical ...


Airborne Topological Acoustics, Xingxing Liu Oct 2019

Airborne Topological Acoustics, Xingxing Liu

Electronic Thesis and Dissertation Repository

Advances in topological acoustics are leading to potential development for noise attenuation, ultrasonic imaging, sound manipulation, and information delivering, etc. Recently, ideas and methodologies from condensed-matter physics, such as the quantum Hall effect (QHE), the quantum spin Hall effect (QSHE), and the quantum valley Hall effect (QVHE), combined with configurations of sonic crystals and metamaterials, have been investigated in manipulating acoustic transmissions in the form of one-way edge modes and defect-immune protected acoustics. However, many related studies are still in their infancy and mostly rely on bulky, noisy, overly complicated, untunable and narrow-band-effective facilities, and so it is highly desirable ...


A Framework For Evaluating Cortical Architectural Anomalies In Temporal Lobe Epilepsy Patients, Hossein Rajali Oct 2019

A Framework For Evaluating Cortical Architectural Anomalies In Temporal Lobe Epilepsy Patients, Hossein Rajali

Electronic Thesis and Dissertation Repository

Focal cortical dysplasia (FCD) are localized regions of malformed cerebral cortex that are frequently associated with drug-resistant epilepsy. Currently, there is a lack of research towards providing quantitative methods for characterizing minor abnormalities in cortical architecture, hindering efforts to determine whether removal affects surgical outcome, and define potential imaging correlates. In our work, we have developed a tool to extract relevant features associated with cortical architectural abnormalities that can deal with artifacts including cortical layer distortions and morphological differences caused by cortical folding effects, and processing artifacts due to improper sectioning. This framework was applied to detect abnormalities across multiple ...


Analysis Of Roofs Of Wooden Houses Under Uplift Wind Loads- Analytical Solution, Retrofit, And Reliability Analysis, Adnan Farouk Enajar Oct 2019

Analysis Of Roofs Of Wooden Houses Under Uplift Wind Loads- Analytical Solution, Retrofit, And Reliability Analysis, Adnan Farouk Enajar

Electronic Thesis and Dissertation Repository

Observations of post-hurricane events indicate that light-frame wood houses are vulnerable to failure

Observations of post-hurricane events indicate that light-frame wood houses are vulnerable to failure due to the inability of their connections to provide sufficient transfer of uplift wind loads from the roof of the house to the foundation. One of these connections is the roof-to-wall connection (RTWC), which connects roof trusses to the top plate members of the walls. This issue has been investigated through full-scale testing at the Insurance Research Lab for Better Homes. This thesis describes the detailed finite element modelling performed for this full-scale testing ...


A Comprehensive Study Of Sequential Simulated Moving Bed: Purification Of Xylo-Oligosaccharides And Fructose-Glucose, Yan Li Oct 2019

A Comprehensive Study Of Sequential Simulated Moving Bed: Purification Of Xylo-Oligosaccharides And Fructose-Glucose, Yan Li

Electronic Thesis and Dissertation Repository

Chromatographic separation is a promising alternative for separation and purification of sugars in industry. Simulated moving bed (SMB) technique has been proven as an efficient chromatographic separation method due to its enhanced productivity and purity, reduced solvent consumption, convenient operating control, and improved separation performance for some systems with low resolution and selectivity. The sequential simulated moving bed (SSMB) is a modification of the conventional SMB process, which currently has some applications for sugar separation due to its low solvent consumption. This work mainly investigates the design strategy of the innovative SSMB process and explore its advantages and disadvantages over ...


Design Of Cell-Instructive Biomaterial Scaffolds For Intervertebral Disc Regeneration, Nadia Sharma Sep 2019

Design Of Cell-Instructive Biomaterial Scaffolds For Intervertebral Disc Regeneration, Nadia Sharma

Electronic Thesis and Dissertation Repository

Biomaterials-based therapies targeting the nucleus pulposus (NP) have the potential to promote regeneration and restore mechanical function to the intervertebral disc. This study developed composite hydrogels incorporating decellularized NP (DNP) and assessed its effects on viability, retention and differentiation of U-CH1 cells, an NP progenitor-like cell line. A minimal protocol was developed to decellularize bovine NP that reduced nuclear content while preserving key extracellular matrix components predicted to be favourable for bioactivity. The resulting DNP demonstrated cell-instructive effects, supporting U-CH1 viability and retention within the hydrogels, and promoted the differentiation of the progenitor-like cells towards an NP-like phenotype. These studies ...


Development Of A Co-Rotating, Fully Intermeshing Twin-Screw Extruder Model For The Extrusion Of Natural Fibre Suspensions, Keller J H George Sep 2019

Development Of A Co-Rotating, Fully Intermeshing Twin-Screw Extruder Model For The Extrusion Of Natural Fibre Suspensions, Keller J H George

Electronic Thesis and Dissertation Repository

Twin-screw extruders are continuous processing devices that have been used in many industries concerned with the processing of multiphase fibrous suspensions, such as the food and pulping industries. While these devices offer great flexibility due to their modularity and customizability, optimization for specific applications can be challenging due to the unavailability of reliable, global models with accurate predictive capabilities. Consequently, this work seeks to eliminate this knowledge gap with the development of a novel global, composite model capable of predicting key process outputs for suspension-processing, phase-separating, co-rotating, fully-intermeshing twin-screw extruders. Creation of the novel global algorithm involved the modification of ...


Finite Element Analysis Of Hollow-Stemmed Shoulder Implants In Different Bone Qualities Derived From A Statistical Shape And Density Model, Pendar Soltanmohammadi Sep 2019

Finite Element Analysis Of Hollow-Stemmed Shoulder Implants In Different Bone Qualities Derived From A Statistical Shape And Density Model, Pendar Soltanmohammadi

Electronic Thesis and Dissertation Repository

The incidence of total shoulder arthroplasty procedures (TSA) to treat osteoarthritis has experienced the most rapid growth among all human joint replacements. However, stress shielding of proximal bone following its reconstruction is a complication of TSA triggering unfavorable adaptive bone remodeling, especially for osteoporotic patients.

A better understanding of how the shape and density of the shoulder vary among members of a population can help design more effective population-based orthopedic implants. Therefore, finite element models representing healthy, osteopenic, and osteoporotic bone qualities in a population were developed using our statistical shape and density model. Bones were reconstructed with hollow- and ...


A Heterogeneous Patient-Specific Biomechanical Model Of The Lung For Tumor Motion Compensation And Effective Lung Radiation Therapy Planning, Parya Jafari Sep 2019

A Heterogeneous Patient-Specific Biomechanical Model Of The Lung For Tumor Motion Compensation And Effective Lung Radiation Therapy Planning, Parya Jafari

Electronic Thesis and Dissertation Repository

Radiation therapy is a main component of treatment for many lung cancer patients. However, the respiratory motion can cause inaccuracies in radiation delivery that can lead to treatment complications. In addition, the radiation-induced damage to healthy tissue limits the effectiveness of radiation treatment. Motion management methods have been developed to increase the accuracy of radiation delivery, and functional avoidance treatment planning has emerged to help reduce the chances of radiation-induced toxicity. In this work, we have developed biomechanical model-based techniques for tumor motion estimation, as well as lung functional imaging. The proposed biomechanical model accurately estimates lung and tumor motion ...


An Integrated Framework To Assess Compound Flood Risks For Interdependent Critical Infrastructure In A Coastal Environment, Ying Zhang Sep 2019

An Integrated Framework To Assess Compound Flood Risks For Interdependent Critical Infrastructure In A Coastal Environment, Ying Zhang

Electronic Thesis and Dissertation Repository

Compound flooding refers to flood events caused by multiple factors, including marine processes (e.g. storm tides and waves), hydrometeorological signals (e.g. rainfall and river flows) among others. Saint Lucia is a tropical island in eastern Caribbean Sea, which is frequently affected by weather-related extreme events such as tropical storms and the associated risks are exacerbated due to its mountainous topography and high concentrations of infrastructure and human communities close to the coast. At the southern coast of Saint Lucia, significant infrastructures such as Hewanorra International Airport and Vieux Fort Seaport, and human settlements such as towns of Vieux ...


Catalytic Conversion Of 1,3,5 Tipb Over Y-Zeolite Based Catalysts Catalyst/Oil Ratio(C/O) Effect And A Kinetic Model, Abdualkaber A. Alkhlel Sep 2019

Catalytic Conversion Of 1,3,5 Tipb Over Y-Zeolite Based Catalysts Catalyst/Oil Ratio(C/O) Effect And A Kinetic Model, Abdualkaber A. Alkhlel

Electronic Thesis and Dissertation Repository

A typical FCC unit involves the transport and rapid catalytic reaction of chemical species using 60-70 micron fluidizable catalyst particles. In FCC, hydrocarbon species evolve in the gas-phase are adsorbed on, and then react with the catalyst particles. In this case, large molecular weight hydrocarbons (vacuum gas oil) are converted into lighter products (gasoline). FCC also yields undesirable products such as light gases and coke. Coke promotes catalyst activity decay and as result, is detrimental to catalyst performance. Given the significance of coke as a catalyst decay agent in FCC, it is the objective of this PhD research to study ...


Evaluation Of Biohydrogen Production From Co-Fermentation Of Carbohydrates And Proteins, Emmanuel Andrew Tepari Jr, Sep 2019

Evaluation Of Biohydrogen Production From Co-Fermentation Of Carbohydrates And Proteins, Emmanuel Andrew Tepari Jr,

Electronic Thesis and Dissertation Repository

The aim of this study was to examine volatile fatty acid (VFA) production from a proteinaceous substrate, bovine serum albumin (BSA) for a pH range of 5 – 9, and to further assess its impact on hydrogen production in a co-fermentation process using starch and BSA at different ratios. The established optimum conditions for VFA production from BSA were an initial pH of 8, incubation time of 3 days and an operating temperature of 37 ℃. Using these fermentation conditions, the stoichiometric reactions that describe the anaerobic degradation of BSA were investigated. A methodology that describes organic acid production from BSA by ...


The Hydrodynamics And Heat Transfer Of Impinging Jet Flow And Circular Hydraulic Jump, Yunpeng Wang Sep 2019

The Hydrodynamics And Heat Transfer Of Impinging Jet Flow And Circular Hydraulic Jump, Yunpeng Wang

Electronic Thesis and Dissertation Repository

The laminar axisymmetric flow and heat transfer of a circular impinging jet and hydraulic jump on a solid surface is analyzed theoretically using boundary-layer and thin-film approaches. Liquid jet impingement features many applications such as jet rinsing, jet cooling, liquid atomization and chemical reactors. The associated hydraulic jump dramatically affects the performance of the heat and mass transfer in such applications. In the current thesis, the effects of inertia, surface tension, surface rotation, gravity and heat transfer are comprehensively explored for impinging jet flow and the formation of hydraulic jump.

The boundary-layer heights and film thickness are found to diminish ...


Experimental And Numerical Evaluation Of A Novel Piling System For Sound Wall Applications, Daniel Mroz Sep 2019

Experimental And Numerical Evaluation Of A Novel Piling System For Sound Wall Applications, Daniel Mroz

Electronic Thesis and Dissertation Repository

Drilled shafts are conventionally used as foundations for sound walls. However, steel piles can provide faster installation and immediate utilization. The purpose of this research program is to evaluate a novel pile concept which comprises an H-pile modified to better resist typical load patterns faced by sound wall piles including lateral force and moment from wind and uplift force from adfreeze. The modifications include one or two plates welded to the pile and soil anchors (nodes) welded along the pile flange.

A full-scale pile load testing program was performed on sixteen piles which included monotonic and cyclic lateral load tests ...


Long-Term Deflections Of Reinforced Concrete Beams, Ziad Elaghoury Aug 2019

Long-Term Deflections Of Reinforced Concrete Beams, Ziad Elaghoury

Electronic Thesis and Dissertation Repository

The CSA A23.3 code provisions compute the long-term deflection of reinforced concrete flexural members by applying a multiplier to the short-term deflection, essentially ignoring the creep and shrinkage characteristics of concrete. The CAC Concrete Design Handbook presents more elaborate methods, but fails to account for the factors that influence the creep and shrinkage of concrete.

The four widely recognized models for computing creep and shrinkage strains yield predictions that differ by up to 30%. Studies by others to assess the accuracy of the models apply different of statistical analyses do different datasets and so yield contradicting outcomes, making it ...


Effects Of Building Scale Parameters On Pressure Equalization Capacity Of Roof Paver Systems, Matthew Sparks Aug 2019

Effects Of Building Scale Parameters On Pressure Equalization Capacity Of Roof Paver Systems, Matthew Sparks

Electronic Thesis and Dissertation Repository

Roof pavers are commonly installed with a cavity beneath the paver that develops an internal suction pressure. These cavity pressures reduce the net pressure felt by a roof paver subject to uplift. Paver-scale parameter effects are well-understood, in this study, the effects of changing building-scale parameters such as height, aspect ratio, afterbody length, small and large scale roof obstructions, and paver to roof size ratio on cavity pressures are investigated. To do so pressure measurements were taken at the University of Western Ontario’s Boundary Layer Wind Tunnel Laboratory on a modular flat roof building model at four different heights ...


Scaffold Design Considerations For Soft Tissue Regeneration, Madeleine M. Di Gregorio Aug 2019

Scaffold Design Considerations For Soft Tissue Regeneration, Madeleine M. Di Gregorio

Electronic Thesis and Dissertation Repository

Tissue engineering has emerged as a promising strategy for the replacement of degenerating or damaged tissues in vivo. Also known as regenerative medicine, integral to this therapeutic strategy is biomimetic scaffolds and the biomaterial structural components used to form them. In this study, three different biomaterial scaffolds for tissue engineering applications were fabricated: three-dimensional reverse embedded collagen scaffolds, polymer fusion printed polycaprolactone (PCL) scaffolds, and electrospun gelatin scaffolds. Three-dimensional collagen and PCL scaffolds promoted human adipose-derived stem/stromal cell (ASC) spreading, proliferation, and fibronectin deposition in vitro. Secondly, this study investigated the efficacy of exogenous galectin-3 delivery as a therapeutic ...


Numerical Studies On Hydrodynamics In Various Circulating Fluidization Systems, Zeneng Sun Aug 2019

Numerical Studies On Hydrodynamics In Various Circulating Fluidization Systems, Zeneng Sun

Electronic Thesis and Dissertation Repository

Various circulating fluidized bed (CFB) systems including gas-solid fluidization, liquid-solid fluidization, and gas-liquid-solid three-phase fluidization are numerically studied. With a comprehensive knowledge from the experiments, improved computational fluid dynamic (CFD) models are developed for detailed investigations on a wide operating range in the gas-solid CFB (GSCFB) system. The CFD model developed is also extended to study two new types of fluidized beds, an inverse liquid-solid circulating fluidized bed (ILSCFB) and a bubble induced fluidized bed (BIFB), as a supplement to the experimental work.

Flow structures and transitions from low-density operations to high-density operations in both GSCFB riser and downer are ...


Pyrolysis Of Miscanthus And Products Characterization, Arshdeep Singh Aug 2019

Pyrolysis Of Miscanthus And Products Characterization, Arshdeep Singh

Electronic Thesis and Dissertation Repository

Miscanthus, an invasive crop, has recently gained attention as an emerging energy crop because of certain features such as adaptability to lower temperature, efficient use of water and nutrients, low or no need of nitrogen fertilizers, high biomass yield, fast growing cycle and less intensive agricultural cultivation practices than other energy crops, such as corn.

The literature review is focused on the value-added applications and conversion of Miscanthus for bioenergy and biomaterial applications. The thermochemical conversion technologies reviewed in this chapter include pyrolysis, liquefaction, torrefaction and gasification, whereas biochemical conversion technologies include enzymatic saccharification and fermentation.

In this work, Miscanthus ...


An Experimental Study On The Impact Of Pressure Drop In The Ranque-Hilsch Vortex Tube, Mark Parker Aug 2019

An Experimental Study On The Impact Of Pressure Drop In The Ranque-Hilsch Vortex Tube, Mark Parker

Electronic Thesis and Dissertation Repository

A vortex tube converts a single stream of compressed gas into two outlet streams; one heated, and the other cooled. This phenomenon, referred to as energy separation, is not fully understood, thereby requires further experimentation and analysis. CFD can provide insight, however, such simulations require a complete set of information of the geometric, operational, and performance parameters of particular vortex tube experiments.

An experiment is developed to provide complete information for CFD simulations. The vortex tube under consideration is established by considering reported data from past studies and selecting parameters that yield significant energy separation. An experimental apparatus is developed ...


In Vitro Biomechanical Analyses Of The Pcl And Medial Ligaments Of The Human Knee, Alireza Moslemian Aug 2019

In Vitro Biomechanical Analyses Of The Pcl And Medial Ligaments Of The Human Knee, Alireza Moslemian

Electronic Thesis and Dissertation Repository

Previous studies have shown that surgical treatments of PCL injuries are not successful in all cases and there is room for improvement. The effectiveness of an isolated PCL reconstruction, in the setting of what actually is a multi-ligament injury, may be inadequate, and therefore the biomechanical contribution of other ligaments in a PCL-deficient knee need to be better understood.

A new apparatus was used to analyze the effect of medial ligaments transection on the kinematics of the PCL-deficient knee during simulated clinical tests and activities of daily living. We observed that the anterior translation of the medial side of the ...


Predicting And Preventing Traumatic Brain Injury: A Novel Computational Approach, Kewei Bian Aug 2019

Predicting And Preventing Traumatic Brain Injury: A Novel Computational Approach, Kewei Bian

Electronic Thesis and Dissertation Repository

Traumatic brain injury (TBI) is a severe health problem for society. Meanwhile, predicting and preventing TBI remains challenging in the field. Peak rotational velocity was demonstrated to be correlated to brain strain responses, and hence could potentially serve as a good predictor for brain injury. Brain strain was influenced by impact direction, deceleration and impact loading curve shapes. Wearing helmets is an effective way to protect the brain from TBI, but there lacks a study on evaluating helmet performance based on both energy absorption and brain strain response, which this study addressed. Interestingly, helmet shell absorbed around half of the ...


Pneumatic Hyperelastic Robotic End-Effector For Grasping Soft Curved Organic Objects, Alexandre Galley Aug 2019

Pneumatic Hyperelastic Robotic End-Effector For Grasping Soft Curved Organic Objects, Alexandre Galley

Electronic Thesis and Dissertation Repository

Pneumatically-driven soft robotic grippers can elastically deform to grasp delicate, curved organic objects with minimal surface damage. However, common actuators have complex geometries and are fabricated with ultra-soft hyperelastic elastomers not originally intended for scientific applications. The complexity of the actuator geometry and extreme nonlinearity of their material’s stress-strain behaviour make it difficult to predict the actuator’s deformation prior to experimentation. In this work, a compact soft pneumatic gripper made with polydimethylsiloxane (PDMS) is developed for grasping delicate organic objects, analyzed through computational modelling and experimentally validated. COMSOL Multiphysics is used to simulate the impact of geometrical parameters ...


In-Line Monitoring Of Lubricant Addition Through Passive Vibration Measurements In A V-Blender, Austin Cameron Aug 2019

In-Line Monitoring Of Lubricant Addition Through Passive Vibration Measurements In A V-Blender, Austin Cameron

Electronic Thesis and Dissertation Repository

Process analytical technologies can improve product monitoring and process efficiency in pharmaceutical manufacturing. Passive vibration measurements were evaluated for their potential as a technique to monitor lubricant dispersal in a V-blender. An accelerometer was attached to the lid of a V-blender shell to measure vibrations from particle collisions. Lubricants formed a layer around the surface of particles, altering energy dissipation upon impact. With mixing, vibrational amplitudes approached a stable value indicating a mixing end-point. Mixing profiles were sensitive to changes in particle type, particle size and distribution, and lubricant concentrations for ideal particles and pharmaceutical granules. Axial loading configurations provided ...


A Methodology For Assessing Dynamic Resilience Of Coastal Cities To Climate Change Influenced Hydrometeorological Disasters, Angela Peck Aug 2019

A Methodology For Assessing Dynamic Resilience Of Coastal Cities To Climate Change Influenced Hydrometeorological Disasters, Angela Peck

Electronic Thesis and Dissertation Repository

Confronted with rapid urbanization, intensified tourism, population densification, increased migration, and climate change impacts, coastal cities are facing more challenges now than ever before. Traditional disaster management approaches are no longer sufficient to address the increased pressures facing urban areas. A paradigm shift from disaster risk reduction to disaster resilience building strategies is required to provide holistic, integrated, and sustainable disaster management looking forward. To address some of the shortcomings in current disaster resilience assessment research, a mathematical and computational framework was developed to help quantify, compare, and visualize dynamic disaster resilience. The proposed methodological framework for disaster resilience combines ...


Optimal Decentralized Coordination Of Sources In Islanded And Grid-Connected Microgrids, Mithun Mallick Jul 2019

Optimal Decentralized Coordination Of Sources In Islanded And Grid-Connected Microgrids, Mithun Mallick

Electronic Thesis and Dissertation Repository

Rising climate change concerns in recent years have instigated the emergence of sustainable sources to reduce dependence on high-emission, isolated bulk generation systems. The microgrid framework relies on integrating these distributed energy resources (DERs) to achieve regional energy independence that leads to a reliable and environment-friendly power grid. In this work, highly granular and decentralized coordination schemes are proposed that will enable fast computation of source dispatch set-points, thereby appropriately accounting for frequent changes in regional load-supply configuration of a microgrid. The mathematical models utilized in the study sufficiently represent the steady-state electrical interdependencies and feasibility limits in islanded or ...


Adaptation Of A Deep Learning Algorithm For Traffic Sign Detection, Jose Luis Masache Narvaez Jul 2019

Adaptation Of A Deep Learning Algorithm For Traffic Sign Detection, Jose Luis Masache Narvaez

Electronic Thesis and Dissertation Repository

Traffic signs detection is becoming increasingly important as various approaches for automation using computer vision are becoming widely used in the industry. Typical applications include autonomous driving systems, mapping and cataloging traffic signs by municipalities. Convolutional neural networks (CNNs) have shown state of the art performances in classification tasks, and as a result, object detection algorithms based on CNNs have become popular in computer vision tasks. Two-stage detection algorithms like region proposal methods (R-CNN and Faster R-CNN) have better performance in terms of localization and recognition accuracy. However, these methods require high computational power for training and inference that make ...


Hydrodynamics Studies Of Air Dense Medium Fluidized Bed With Binary Mixtures For Dry Coal Beneficiation, Zhijie Fu Jul 2019

Hydrodynamics Studies Of Air Dense Medium Fluidized Bed With Binary Mixtures For Dry Coal Beneficiation, Zhijie Fu

Electronic Thesis and Dissertation Repository

A systematic and comprehensive study of fluidization hydrodynamics and separation properties was conducted in a bench-scale and a semi-industrial Air Dense Medium Fluidized Bed (ADMFB) systems for dry coal beneficiation. In order to achieve the adjustment of fluidized bed density for efficient dry gravity separation, various types of binary mixtures of solid particles were tested and used as the medium materials in ADMFB. Fluidization hydrodynamics including minimum fluidization velocity, fluidized bed expansion, solids mixing/segregation, and bed density distribution were carefully investigated. A series of continuous experiments of raw coal dry beneficiation were successfully implemented in a semi-industrial ADMFB system ...


Characterization Of Tetrazolium Salts And Formazans Using Computational Chemistry For Radiochromic Dosimetry, Teshome G. Bedada Jul 2019

Characterization Of Tetrazolium Salts And Formazans Using Computational Chemistry For Radiochromic Dosimetry, Teshome G. Bedada

Electronic Thesis and Dissertation Repository

Computational chemistry is a powerful tool to model different materials and predict their physical and chemical properties. The goal of this thesis was to apply different computational chemistry tools to model the properties of two classes of closely related organic compounds: formazans and tetrazolium salts for ionizing radiation dosimetry in water-based gels, whereby the absorbed dose is registered by optical detection of formazan formation from tetrazolium salts. The structural parameters of phenyl and benzothiazolyl-substituted tetrazolium salts and formazans were computed using the APFD density functional theory (DFT) model and 6-311+G(2d,p) basis set. Conformational searching of stereoisomers (TSCA ...