Other Chemical Engineering Commons^™

Artificial Neural Network Modeling Applied For Predicting Reformate Yield And Research Octane Number In The Reforming Process, Badiea S. Babaqi, Abdelrigeeb Ali Al-Gathe, Mohd S. Takriff, Hassimi Abu Hasan, Mohammed H. Al-Douh

Hadhramout University Journal of Natural & Applied Sciences

The prediction model of the continuous catalytic regeneration reforming process was developed for expecting the reformate yield and research octane number using an Artificial Neural Network technique (ANN) to improve the process performance. The proposed model includes temperatures, pressures, and hydrogen to hydrocarbon molar ratio as input parameters while the output of the process represents reformate yield and research octane number. The ANN model was carried out to estimate the process behavior based on the Levenberg-Marquardt Algorithm, which included the nine input parameters, two hidden layers (10-5 neurons), and two parameters as network outputs. The results obtained were that the …

Design Of Active Pharmaceutical Ingredients Solid States In Crystallization Processes, Weizhong Gong

Electronic Thesis and Dissertation Repository

Crystallization is an important technique to obtain solid-state drugs from solutions. Physicochemical properties of the active pharmaceutical ingredients (APIs) are determined by crystallization. More than half of the active pharmaceutical ingredients exhibit polymorphism, the phenomenon of chemical species showing more than one unit-cell structure in the solid state. Controlling polymorphism is one of the most important goals during pharmaceutical manufacturing. Nevertheless, the control of polymorphism is sometimes not enough to realize the targeted physicochemical properties. Suitable additives (coformers/salt formers) are explored to generate new multi-component solid phases of poorly soluble/bioavailable active pharmaceutical ingredients (APIs). The design of pharmaceutical cocrystals and …

Molecular Understanding And Design Of Deep Eutectic Solvents And Proteins Using Computer Simulations And Machine Learning, Usman Lame Abbas

Theses and Dissertations--Chemical and Materials Engineering

Hydrophobic deep eutectic solvents (DESs) have emerged as excellent extractants. A major challenge is the lack of an efficient tool to discover DES candidates. Currently, the search relies heavily on the researchers’ intuition or a trial-and-error process, which leads to a low success rate or bypassing of promising candidates. DES performance depends on the heterogeneous hydrogen bond environment formed by multiple hydrogen bond donors and acceptors. Understanding this heterogeneous hydrogen bond environment can help develop principles for designing high performance DESs for extraction and other separation applications. This work investigates the structure and dynamics of hydrogen bonds in hydrophobic DESs …

Modeling Of Amine-Based Co2 Capture Process, Zafar Safarovich Turakulov

Chemical Technology, Control and Management

A significant factor influencing climate change is the release of carbon dioxide (CO₂) into the atmosphere as a consequence of human activities such as the combustion of fossil fuels. Climate change can be slowed down by taking action to mitigate industrial-scale CO₂ emissions. Currently, the most advanced technology for capturing CO₂ from industrial flue gases is the post-combustion CO₂ capture based on amine absorption. However, due to the high energy penalties of existing CO₂ capture technologies and insufficient carbon markets, it is necessary to develop methods that compete with these technologies or minimize their …

Robust Gasification Trial Results For A Variety Of Difficult-To-Recycle Packaging-Related Materials, Bruce A. Welt

Journal of Applied Packaging Research

Currently, recycling requires nearly absolute sorting of materials to accommodate the limited capabilities of existing recycling infrastructure. Whether a material is “recyclable” depends more on the method of recycling than the material itself. Our dependence upon sorting has limited success of recycling and has stifled our ability to achieve circular economy sustainability with plastic packaging materials. Our dependence upon sorting is rooted in our material-specific recycling processes. However, newer robust recycling processes are commercially available that reduce or eliminate the need to sort waste, and can convert mixed waste into primary feedstock chemicals, such as methanol for subsequent manufacture of …

Microplate-Like Metal Pyrophosphate Engineered On Ni-Foam Towards Multifunctional Electrode Material For Energy Conversion And Storage, Rishabh Srivastava

Electronic Theses & Dissertations

High clean energy demand, dire need for sustainable development, and low carbon footprints are the few intuitive challenges, leading researchers to aim for research and development for high-performance energy devices. The development of materials used in energy devices is currently focused on enhancing the performance, electronic properties, and durability of devices. Tunning the attributes of transition metals using pyrophosphate (P₂O₇) ligand moieties can be a promising approach to meet the requirements of energy devices such as water electrolyzers and supercapacitors, although such a material’s configuration is rarely exposed for this purpose of study.

Herein, we grow …

Assessing The Thermodynamic Potential Of Deep Eutectic Solvents In The Absorption Of Greenhouse Gases Through Computational Methods, Thomas Michael Quaid

Theses and Dissertations

Greenhouse gas (GHG) capture is a fundamental technology in the fight against climate change. Some species of devastating GHGs like fluorinated compounds are released directly to the air from industrial processes. Some GHGs are co-produced in sustainably derived biofuels which require absorptive upgrading. The development of more efficient, cost effective, and environmentally friendly methods of capturing GHG’s from pollutant sources and industrial streams is of utmost importance in the fight against climate change. Deep eutectic solvents have entered the separations stage as potential disruptors to conventional solvent choices for a variety of applications. Deep eutectic solvents (DES) are compounds of …

Electrostatic Effects On Lipid Bilayer Physicochemal Properties And Vesicle Adhesion, Oscar Zabala-Ferrera

Doctoral Dissertations

Lipids are an integral part of cells, being the principal component of the cell membrane, and contributing to the function and regulation of biological processes. Lipid nanoparticles mimicking a cell’s endosomes or exosomes are of particular interest within the pharmaceutical industry for their ability to deliver cargo such as RNA into target cells. The delivery process faces a multitude of challenges, so a rational design approach for vesicles that considers a lipid’s physicochemical contribution to the membrane is desired. To that end, this thesis explores the creation of large area biomembranes along with the development of electromechanical and optical characterization …

Determination Of Oxidative Stability Of Crude And Refined Vegetable Oils By Rancimat, Oybek Zufarov, Kamar Serkayev

Chemical Technology, Control and Management

The oxidative stability of vegetable oils has been introduced as a critical factor that affects on its quality, shelf life, and nutritional value. In this study, the Rancimat method was analyzed for investigation and comparing the oxidative stability of crude and refined vegetable oils. The induction period, representing the time taken for significant oxidative degradation to occur, has been used as a key parameter to evaluate the oxidative stability. The oxidative stability of different types of vegetable oils, including sunflower, rapeseed, soybean, and cottonseed oil, was studied at various stages of processing: water degummed and neutralized oil. The induction period …

Measuring Of Thermal Conductivity And Heat Capacity Of Different Papers And Heat-Sealing Process Of Papers With A Polymer Layer, Amenah Khalaf

Electronic Theses and Dissertations

Packaging is an important and safe way to protect our food and other things through transportation, but the use of plastic based packaging is causing issues with plastic pollution. To replace plastic packaging with a paper-based option that has a barrier coating, good heat sealing will be needed to be a drop-in replacement. While much as been studied on the heat sealing of polymer layers, little has been reported around the heat sealing of paper that has a polymeric barrier coating.

Experiments were conducted to characterize the thermal conductivity and heat capacity of paper as a function of press pressure …

Use Of Photo Isomers To Enhance The Removal Of Lignin From Woody Biomass Hydrolysate, Dipesh J. Karki

Electronic Theses and Dissertations

In this investigation we propose a novel method to enable precipitation of desired solutes using photo-isomers in the extraction solvent. This photo-switchable solvent would enable dissolution or precipitation of desired components using alternating UV or visible light to modify the solubility of the compounds of interest. Three photo-isomers namely native azobenzene, diethoxy azobenzene and diethylamino azobenzene were studied in three different organic solvents: medium chain length alcohol, ethanol and acetone. It was found that among the different combinations of solvent and photo-isomer, acetone and the 4,4’-diethoxy azobenzene solution was most efficient at precipitating dissolved lignin in response to UV light …

Application Of Crystal Engineering In Multicomponent Pharmaceutical Crystals: A Study Of Theory And Practice, Soroush Ahmadi Nasrabadi

Electronic Thesis and Dissertation Repository

Multicomponent crystallization, a prominent strategy in crystal engineering, offers the ability to modify the physicochemical properties of crystals by introducing a secondary component to their lattice structure. Such multicomponent crystals have found widespread application in the pharmaceutical industry. This thesis explores the experimental screening, characterization, application, and theoretical prediction of multicomponent crystals of Active Pharmaceutical Ingredients (APIs).

The first case study investigates a new solvate of Dasatinib which exhibits high instability at room temperature and transforms into a different polymorph upon desolvation. The crystal structure of this compound is obtained, revealing insights into its transient nature and the potential application …

Gold Thin Film Electrodes For High Sensitivity & Selectivity Electrochemical Detection Of Arsenite In Water, Tybur Q. Casuse Driovínto

Civil Engineering ETDs

This is partial fulfillment of a dissertation defense on electrochemical detection of Arsenic (As) in water using gold (Au) nanofilms as sensing electrodes. The maximum contaminant level of Arsenic in drinking water is set at 10 g L^-1 by the WHO and USEPA. Electrochemical detection by linear stripping voltammetry has comparable detection limits to more expensive laboratory-based methods but with added benefits of being portable and manufacturable. The work has developed sputtered and crystallographically oriented nanofilms for detection of trace As (III). Ultraflat Au(111) oriented thin films, Au(UTF), were compared to single crystal model electrodes to identify the impacts …

Hydrothermal Liquefaction (Htl) Of Lignocellulosic Biomass For Biocrude Production: Reaction Kinetics And Corrosion-Resistance Performance Of Candidate Alloys For Reactors, Haoyu Wang

Electronic Thesis and Dissertation Repository

In recent years, the rapid increase in the demand for clean energy and green chemicals as well as concerns over the supply and environmental impacts associated with fossil. resources have stimulated intensive research on conversion of bioresources, such as lignocellulosic biomass and biowaste, into energy, fuels, chemicals, and materials.

Hydrothermal liquefaction (HTL) is a unique thermochemical conversion process, particularly applicable for the conversion of wet biomass and biowaste feedstocks. Most of the biomass HTL studies are conducted in batch reactor and focus on the effects of catalysts, reaction temperature and time on production efficiency and chemical properties of the products. …

Exploring Methods For Recycling Filament Waste In 3d Printing, Max Rios Carballo

Publications and Research

The goal of the current study is to investigate cutting-edge techniques for recycling filament waste from 3D printing procedures. Appropriate waste management techniques are required to reduce this trash's harmful environmental consequences. The goal of the project is to look at new methods for recycling filament waste in order to minimize disposal and encourage reuse. To acquire data from pertinent papers and research, a thorough literature review methodology was used. The findings show that this issue may be resolved utilizing a variety of recycling techniques, including shredding, melting, and re-extrusion. The type of filament waste and the intended goal will …

Detection Of Toxic Aldehydes In Aerosols Of Electronic Cigarettes., Ellie Bess Reed

Electronic Theses and Dissertations

Over the past decade, use of electronic cigarettes (e-cigarettes) has increased in the younger generations of the United States. With the broad range of flavors and devices distributed on the market, American youth are prime marketing targets for the e-cigarette industry. To create a more regulated market, research of this thesis has been conducted on newer generations of e-cigarette “MOD” devices to examine how e-cigarette battery power output and coil temperature, concentrations of propylene glycol and vegetable glycerin, added flavorings (strawberry, mango, and menthol), and the presence of nicotine affect generation of aerosol particles and aldehydes in aerosols emitted by …

Novel Microdevices To Analyze Toxic Volatile Organic Compounds., Sujoy Halder

Electronic Theses and Dissertations

There has been a growing interest to measure volatile organic compounds (VOCs) in a range of environmental applications. The presence of toxic VOCs in the air has been associated with serious health problems including asthma, central nervous system dysfunction, cardiovascular disease and cancer, etc. Different analytical instruments such as gas chromatography-mass spectrometry (GC-MS) and sensor systems, such as metal oxide sensors are used to analyze VOCs. However, challenges still exist in the detection of airborne VOCs because of their trace concentration and interference with complex gas mixtures. In this dissertation, two microfabricated devices, a sensor array and a micropreconcentrator were …

Synthesis, Property Tuning And Degradation Studies Of Phosphorene-Based Materials., Usman Onuminya Abu

Electronic Theses and Dissertations

Two-dimensional (2D) layered materials have sparked the interest of researchers because of their interesting properties drawn from quantum confinement effects, elevated density of states (DOS), increased surface area, increased active sites, etc. Phosphorene, an interesting addition to the 2D material family in 2014, has interesting properties such as in-plane anisotropy, elevated carrier mobility and thickness-dependent bandgaps that have made it a material of intense interest. Furthermore, there have been theoretical studies predicting that phosphorene could be made even more versatile by intercalating alkali atoms into its layers. Intercalation has proven to be a veritable tool for synthesis, modification, transformation, and …

Greenhouse Gas Emissions From Milk Production In The Us, Cailey Cooper

Chemical Engineering Undergraduate Honors Theses

Life cycle assessment is performed to determine the environmental impacts of the life cycle of a product. In this study, the greenhouse gas emissions from milk production in the United States were calculated using a cradle-to-gate analysis. The dairy industry has a noticeable impact on the total greenhouse gas emissions in the US. Performing life cycle assessment provides information about the main emission sources in the life cycle which can spark innovative changes to reduce these emissions. The life cycle assessment was performed using the openLCA software and ReCiPe impact assessment methodology. The results indicated that 1.28 kg of carbon …

Probing The Structure Of Water On Surfaces: From Water Absorption To Ice Nucleation, Jiarun Zhou

All Dissertations

Water, essential for all life forms, is the most abundant, simple, yet mysterious molecule in the world. This molecule, consisting of only three atoms, behaves in unexpectedly different ways with the change of environment. In the past, studies of water under different conditions (temperature, pressure, on the surfaces, with confinement) have been conducted using experimental and computational methods. However, the influence of a given environment on water properties is yet to be fully understood. This dissertation studies water at complex interfaces (surfaces with various chemistry and physics properties) in both the liquid and crystalline states. Various heterogeneous systems used to …

Comparing Firocoxib And Meloxicam In The Application Of Microneedle Patch For Transdermal Drug Delivery, Ruohan Li

Chemical Engineering Undergraduate Honors Theses

This thesis compares the performance of meloxicam and firocoxib in the aspects of its physical characteristic, chemical compositions, and in-vitro performances for transdermal pain management microneedle patches on farm animals. The microneedle patches are composed of polyvinyl alcohol (PVA), type I collagen (COL), and chitosan (CHI) as base material that carries NSAIDs to achieve therapeutic purposes. Scanning electron microscopy (SEM) was utilized to observe the morphological and physical characteristics of the microneedle patches. Both meloxicam and firocoxib microneedle patches were successfully prepared using the methodology, with organized microneedle distribution and sizing. And Fourier transform infrared spectroscopy (FTIR) confirmed the chemical …

Polymer Based Energy Storage And Thermal Management On Textile Devices, Wesley A. Viola

Doctoral Dissertations

Humans developed textiles to manage thermal energy transfer with the environment and support homeostasis in a wide range of climates. With the anticipation of wearable technologies to transform healthcare via early, pre-symptomatic detection of illness, there is now a demand for electrical energy storage to support such on-body devices. Finding energy materials to merge seamlessly with textiles is basic requirement to ensure widespread adoption of wearable health monitors. Here we use a vapor deposition process to conformally coat ordinary fabrics with the doped conjugated polymer poly(3,4 ethylenedioxythiophene) (PEDOT-Cl), a soft material which possesses electronic and redox capabilities. We demonstrate PEDOT-Cl …

Adsorptive Properties And On-Demand Magnetic Response Of Lignin@Fe3o4 Nanoparticles At Castor Oil–Water Interfaces, Mohammad J. Hasan, Emily Westphal, Peng Chen, Abishek Saini, I-Wei Chu, Sarah J. Watzman, Esteban E. Ureña-Benavides, Erick S. Vasquez

Chemical and Materials Engineering Faculty Publications

Lignin@Fe3O4 nanoparticles adsorb at oil–water interfaces, form Pickering emulsions, induce on-demand magnetic responses to break emulsions, and can sequester oil from water. Lignin@Fe3O4 nanoparticles were prepared using a pH-induced precipitation method and were fully characterized. These were used to prepare Pickering emulsions with castor oil/Sudan red G dye and water at various oil/water volume ratios and nanoparticle concentrations. The stability and demulsification of the emulsions under different magnetic fields generated with permanent magnets (0–540 mT) were investigated using microscopy images and by visual inspection over time. The results showed that the Pickering emulsions were more stable at the castor oil/water …

Preparation, Cure, And Characterization Of Cyanate Ester-Epoxy Blends Containing Reactive Flame Retardants, Mustafa Mukhtar, Donald A. Klosterman

Chemical and Materials Engineering Faculty Publications

Cyanate ester resins are sometimes mixed with lower cost epoxy monomers to modify cost, toughness, and processing capabilities. Despite the high performance of these thermosetting polymers, flame retardancy remains an issue. This study examined blends of three different commercial cyanate ester monomers (LVT-100, LECy, and XU-71787.02) and diglycidyl ether of bisphenol A (DGEBA) at 50/50 wt% of each type. The blends were successfully reacted with two reactive flame retardants (FR): 9,10-dihydro-9-ox-9-phosphaphenanthrene-10-oxide (DOPO) and poly(m-phenylene methylphosphonate) (PMP) at phosphorus contents ranging from 0 to 3 wt%. The curing behavior of EP/CE blends was investigated using differential scanning calorimetry (DSC). It was …

Model Based Systems Engineering Approaches To Chemicals And Materials Manufacturing, Quang Le

Theses and Dissertations

Model-based systems engineering (MBSE) is part of a long-term trend toward model-centric approaches adopted by many engineering disciplines. This work establishes the need for an MBSE approach by reviewing the importance, complexity, and vulnerability of the U.S. chemical supply chains. The origins, work processes, modeling approaches, and supporting tools of the systems engineering discipline (SE) are discussed, along with the limitations of the current Process Systems Engineering (PSE) framework. The case is made for MBSE as a more generalizable and robust approach. Systems modeling strategies for MBSE are introduced, as well as a novel MBSE method that supports the automation …

Mechanisms Of Emulsion Destabilization: An Investigation Of Surfactant, Stabilizer, And Detergent Based Formulations Using Diffusing Wave Spectroscopy, Jordan N. Nowaczyk

Theses and Dissertations

Conventional approaches for studying emulsions, such as microscopy and macroscopic phase tracking, present challenges when it comes to establishing detailed mechanistic descriptions of the impact of emulsifier and stabilizer additives. Additionally, while a combination of sizing methods and macroscopic phase tracking can provide insights into droplet size changes and concentration, the use of multiple measurements can be cumbersome and error-prone. It is the focus of this work, to present a new method for studying water in oil (W/O) emulsions that involves using diffusing wave spectroscopy (DWS) to examine the impact of three different surface stabilizing additives at varying concentrations. By …

Hygroscopic Tandem Differential Mobility Analyzer (Htdma) Design And Testing For Aerosol Hygroscopic Behavior Studies, Ziheng Zeng

Honors Theses

Most particles in the atmosphere take up water when exposed to increasing relative humidity (RH), and this behavior is described and quantized by a hygroscopicity parameter, kappa. Hygroscopic Tandem Differential Mobility Analysis (HTDMA) can be used to measure the physicochemical properties of aerosol particles and study phenomena that lead to size changes in submicron aerosol particles. Specifically, HTDMA measures how aerosol particles of different initial dry sizes grow or shrink when exposed to changing RH. HTDMA uses two differential mobility analyzers (DMAs) and a humidification system to make these measurements. One DMA selects a narrow size range of dry aerosol …

Hydro Cyclonic Separation Of Polyester Microfibers From Washing Machine Wastewater, Joe Kulkarni

Dissertations, Master's Theses and Master's Reports

Clothing made from synthetic materials shed fibers in washing machines, and these fibers find their way into the effluent water. These fibers can absorb toxic materials in wastewater treatment plants and can then carry these toxins into other aquatic environments.

It’s believed that a hydro cyclone could be scaled down enough to fit into a washing machine and could be used to filter out up to 80% of the microparticles from the effluent water. It’s proposed to investigate if a hydro cyclone can be used for this application. The overall goal was for the hydro cyclone to concentrate the micro …

Microwave-Assisted Ammonia Synthesis Over Cs-Ru/Ceo2 Catalyst, Alazar Kesete Araia

Graduate Theses, Dissertations, and Problem Reports

Ammonia synthesis is one of the greatest innovations of the 20^th century with extensive applications from fertilizers to intermediates for nitrogen-containing chemicals and pharmaceuticals. Annually, more than 242 million tons of ammonia is produced globally, supporting approximately 27% of the world’s population. One of the fast-growing applications for ammonia is as H₂ energy carrier due to its high energy storage capacity, considered to be a decarbonized energy source. The low volumetric energy density and incompressibility makes Hydrogen a non-preferable energy carrier; an alternative carrier becomes a requirement. Ammonia possesses unique property as an energy-dense carrier to store and …

Utilizing Computer-Aided Molecular Design With Azido-Ester Plasticizers, Justin Ebert

Williams Honors College, Honors Research Projects

The goal of this project was to utilize Computer-Aided Molecular Design (CAMD) using the Signature molecular descriptor to inversely design optimized azido-ester plasticizers. Azido-ester plasticizers are used to modify the mechanical properties of propellant and explosive formulations. With the assistance of quantitative structure-property relationships, QSPRs, and two types of constraint equations, these new, novel plasticizers have the potential to possess optimal physical and chemical properties. Properties investigated in this work were decomposition temperature, heat of formation, glass transition temperature, and molecular weight. These properties were chosen for their importance when formulating propellants or explosives. After the filters were applied to …