Chemical Engineering Commons^™

Air Quality Assessment On Local And Hyperlocal Scales, Zhiyao Li

McKelvey School of Engineering Graduate Student Theses & Dissertations

Air quality monitoring across local and hyperlocal scales has attracted increased attention from both the public and research community. There are several approaches such as passive samplers and low-cost air quality sensors, depending on the pollutant and measurement objectives. Local and hyperlocal air pollutant measurements help to characterize local emission sources such as traffic and industry, including separating these signals from large scale influences (e.g., urban and regional scales), and better understand how land use types and meteorology influence pollutant spatiotemporal patterns. Low-cost sensors (LCS) are now a popular approach to monitor several criteria pollutants (e.g., particulate matter (PM), ozone, …

Development Of An Experimentally Validated Computational Fluid Dynamics Model For A Pbi Membrane-Based Anhydrous Hcl Electrolyzer, Kris Likit-Anurak, Hunter R. Teel, Ishwor Karki, Ben I. Howard, Brian C. Benicewicz, Sirivatch Shimpalee, Benjamin H. Meekins

Faculty Publications

We report the development of an experimentally-validated computational fluid dynamics (CFD) model for simulation of an anhydrous HCl electrolyzer. The experimental data from 3 membrane variants was used to provide kinetic and membrane parameters for the model. The model not only accurately simulates overall electrolyzer performance, but it also provides key insights into the transport phenomena within the electrolyzer. The model allows simulation of experimental parameters like high HCl flowrates and increased cell pressure that pose a high safety risk to researchers. The model shows hotspots in the temperature distribution that will need to be addressed by flow field modification …

Localized Sustained Release Of Copper Enhances Antitumor Effects Of Disulfiram In Head And Neck Cancer, Juan Wang, Boxuan Li, Remy C. Cooper, Da Huang, Hu Yang

Chemical and Biochemical Engineering Faculty Research & Creative Works

Drug Repurposing Uses Approved Drugs as Candidate Anticancer Therapeutics, Harnesses Previous Research and Development Efforts, and Benefits from Available Clinically Suitable Formulations and Evidence of Patient Tolerability. in This Work, the Drug Used Clinically to Treat Chronic Alcoholism, Disulfiram (DSF), Was Studied for its Antitumor Efficacy in a Copper-Dependent Manner. the Combination of DSF and Copper Could Achieve a Tumor Cell Growth Inhibition Effect Comparable to Those of 5-Fluorouracil and Taxol on Head and Neck Cancer Cells. Both Bulk Dendrimer Hydrogel and Microsized Dendrimer Hydrogel Particles Were Utilized for the Localized Sustained Release of Copper in the Tumor Site. the …

Analysis Of The Effect Of Different Surface Preparation Methods On Corrosion Resistance And Adhesion Strength Of Astm A36 Steel Substrate With Surface Tolerant Epoxy Paint As Coating Material, Irwan Wijaya Santoso, Daffa Aqila, Rini Riastuti, Rizal Tresna Ramadhani

Journal of Materials Exploration and Findings

In the industrial world, to extend the service life of materials, protection methods are carried out to slow down the material's corrosion rate. The protection method that is often used is the coating method. The coating method is a protection method by coating the substrate material using a coating material to prevent contact between the substrate material and the environment. In this research, the substrate material used is ASTM A36 steel and the coating material used is Surface Tolerant Epoxy paint. The independent variable used in this study lies in the surface preparation method which consists of: solvent cleaning, hand …

Engineering The Signal Resolution Of A Paper-Based Cell-Free Glutamine Biosensor With Genetic Engineering, Metabolic Engineering, And Process Optimization, Tyler J. Free, Joseph P. Talley, Chad D. Hyer, Catherine J. Millar, Joel S. Griffitts, Bradley Charles Bundy

Faculty Publications

Specialized cancer treatments have the potential to exploit glutamine dependence to increase patient survival rates. Glutamine diagnostics capable of tracking a patient’s response to treatment would enable a personalized treatment dosage to optimize the tradeoff between treatment success and dangerous side effects. Current clinical glutamine testing requires sophisticated and expensive lab-based tests, which are not broadly available on a frequent, individualized basis. To address the need for a low-cost, portable glutamine diagnostic, this work engineers a cell-free glutamine biosensor to overcome assay background and signal-to-noise limitations evident in previously reported studies. The findings from this work culminate in the development …

Insight Into The Application Of Engineered Phenol Polymer Nanocomposites For Geothermal Well Applications To Modify Fracture Permeability, Fatemeh Hamidi

Civil Engineering ETDs

In enhanced geothermal systems, the efficient transfer of heat from the formation to the fluid circulating through the fracture network can be compromised when thermal short-circuiting occurs due to preferential flow through highly conductive fractures. This study introduces a pioneering approach using newly developed phenol polymer nanocomposites as an engineering solution to address the challenges associated with preferential flow in geothermal wells, which can lead to thermal short-circuiting. Multiple phenol polymer nanocomposites were formulated, incorporating aluminum oxide, COOH-functionalized graphitized multi-walled carbon nanotubes (MWCNTs), and graphene nanoparticles, each with a 0.5 wt.% polymer dosage. This research successfully modified the crosslinking process …

Systematically Testing The Clustering Properties Of Peptoids For Use In Medical Implants, Steven Matthew Axelsen

Theses - ALL

Peptoids are peptidomimetics, in which the side chains are carried by the backbone nitrogen atoms instead of the alpha carbon, resulting in N-substituted glycine repeat units. The cationic peptoids have antimicrobial properties and can be sequestered into anionic hydrogels as coatings on implantable devices to prevent infection. In a recent study, our lab investigated the self-assembly of short peptoids with 6 to 12 repeat units. We showed that peptoids can cluster into large aggregates or remain as individual molecules depending on the net charge and nature of the sidechains. This study also demonstrated that the complexation of peptoids with microgels …

Electrospun Shape Memory Fibers For Chronic Wound Surveillance, Avery Gunderson

Theses - ALL

Approximately 6 million patients suffer from chronic wounds each year. These wounds are highly susceptible to infection and subsequent biofilm formation. Biofilms are difficult to dislodge due to their protective extracellular matrix. Antibiotics cannot penetrate the biofilm matrix, so wound healing is often compromised. Current surveillance and treatment options, such as swabbing or dressings, are ineffective and often painful to the patient. Our approach is to employ a bacterial protease-responsive shape memory polymer (SMP) that combats biofilm formation and helps the healing process proceed. To aid in protease penetration and enhance wound dressing comfort, electrospinning can be used to produce …

Investigation Of Hydropathy Of Proteins, Lipid-Modified Proteins, And Self-Defensive Biomaterials, Jingjing Ji

Dissertations - ALL

Molecular dynamics (MD) simulations serve as crucial tools for unraveling the underlying physical principles governing the structure and functionality of biological macromolecules. Experimental techniques provide valuable results, but sometimes it is quite difficult to explain phenomena at atomic and molecular levels. MD simulations investigate physical motion of atoms and molecules over microsecond time scale and compute the equilibrium properties. In this work, I investigated the hydropathy of proteins, lipid-modified proteins, and self-defensive biomaterials with atomistic MD simulations and coarse-grained (CG) MD simulations. The method, Protocol for Assigning a Residue's Character on a Hydropathy (PARCH) scale, is developed to characterize and …

Homomeric Tight Junction Strand Assembly Of Claudin Proteins, Patrick Matthew Marsch

Dissertations - ALL

Tight junctions, a form of cell junction, are utilized throughout the animal kingdom in one way or another. Tasked with facilitating a critical blockade between toxins and vital tissues while also allowing small crucial molecules to pass, the tight junction provides an important line of defense against disease. To build this barrier, various proteins with self-assemble within a cell membrane to then zipper with another cell membrane. The strand-like architecture and size & charge selective pore channels created within the barrier are chiefly governed by the claudin family of proteins. Without claudins present, the tight junction cannot form, and toxic …

Synthesis And Design Of High-Silica Pd-Containing Zeolites For The Catalytic Combustion Of Methane, Jingzhi Liu

Dissertations - ALL

Greenhouse gases, notably carbon dioxide (CO2), methane (CH4), and nitrous oxide (N2O), are principal contributors to global warming, leading to an incremental rise in Earth's atmospheric temperature. The escalation of these gases, primarily from fossil fuel combustion, deforestation, and industrial processes, enhances the radiative forcing mechanism, thereby trapping excessive solar heat within the atmosphere. Scientific inquiries into the spectral absorption properties and life span of these gases emphasize their varying impacts on Earth's thermal equilibrium. For instance, CO2, with its extensive atmospheric residency, brings a prolonged thermal influence, whereas CH4, while being the cleanest burning fossil fuel that generates far …

Process Optimization Of An Ethylbenzene Production Facility Through Integrated Process Simulation And Economic Analysis Methods, Veronica Cunitz

Honors Theses

The following thesis consists of an investigation into the optimization of an ethylbenzene production facility. Aspen Plus software was used to model the production facility and Excel was used to price the facility using Aspen simulation data. This integrated technique was used to optimize the facility based on the Net Present Value (NPV) of the project. The NPV was improved from a base case value of -$23.5 million to a final value of $51.5 million. After this optimization based on NPV, the potential of operating the reactors as isothermal packed bed reactors was investigated. The reactor inlet feed pressure, inlet …

The Design And Optimization Of An Ethylbenzene Production Process, Alexander Koons

Honors Theses

Ethylbenzene is a foundational organic compound used as a reactant in styrene production. The objective of this thesis is to present the optimization of the in-house production process of ethylbenzene, aiming to avoid external procurement for the downstream styrene manufacturing facility. The process underlines a strategic approach to enhance the yield and cost efficiency of the production of ethylbenzene. An economic analysis revealed a promising net present value of approximately $57.6 million. This thesis not only proposes a viable route for internal ethylbenzene generation but also discusses optimizing the chemical production processes for enhanced efficiency and sustainability.

Acoustofluidic Scanning Fluorescence Nanoscopy With A Large Field Of View, Geonsoo Jin, Neil Upreti, Joseph Rich, Jianping Xia, Chenglong Zhao, Tony Jun Huang

Faculty Publications

Large-field nanoscale fluorescence imaging is invaluable for many applications, such as imaging subcellular structures, visualizing protein interactions, and high-resolution tissue imaging. Unfortunately, conventional fluorescence microscopy requires a trade-off between resolution and field of view due to the nature of the optics used to form the image. To overcome this barrier, we developed an acoustofluidic scanning fluorescence nanoscope that simultaneously achieves superior resolution, a large field of view, and strong fluorescent signals. The acoustofluidic scanning fluorescence nanoscope utilizes the superresolution capabilities of microspheres that are controlled by a programmable acoustofluidic device for rapid fluorescence enhancement and imaging. The acoustofluidic scanning fluorescence …

Valorisation Of Water Hyacinth For Different Engineering Applications, Nessren Farrag, Zeinab Elbhnsawi, Omar Aboelazayem

Chemical Engineering

Nature has many elements that can be beneficial or harmful. One of these elements is water hyacinth (WH) which is an aquatic weed found in water bodies such as rivers and lakes and it has an invasive nature due to its rapid growth rate. On the contrary, water hyacinth, despite its classification as an invasive plant species, possesses a multitude of industrial and engineering applications, demonstrating substantial potential for valorisation into various products. Its versatile attributes and widespread availability render water hyacinth a viable resource for deployment across several sectors, including wastewater treatment, bioenergy generation, bioremediation, and sustainable agriculture. The …

A Comprehensive Review Of Fischer-Tropsch Synthesis Processes To Produce Sustainable Diesel And Aviation Fuel, Joseph C. Steinagel

Honors College Theses

The greatest threat known to humankind today is global warming. It affects every nation on the planet and the natural order of all living things. Consequently, this ongoing crisis necessitates action to scientifically revolutionize important areas of society, including researching modern adaptations of the transportation industry. In that regard, it has been determined that an effective short-term answer to eliminating carbon emissions is to produce sustainable fuels that run cooperatively with the well-established machines of today. Sustainable aviation fuel (SAF) is one such topic of interest, and the Fischer-Tropsch synthesis process is an effective way of producing SAF. To that …

Synthesis And Analysis Of A Novel Magnetic Surfactant, Donovan Turpin

Honors Theses

Researchers in the University of Mississippi Chemical Engineering Department have suggested that chelation of a large magnetic transition metal, namely dysprosium, into the large polar head group of a surfactant could result in a magnetic surfactant. This project was aimed at synthesizing a surfactant with a large enough head group and negative charge (specifically EDTA) to support this ion and demonstrating that the chelation process was successful. If so, the molecule would ideally be capable of forming micelles which could extract oily substances from water using a strong magnet—possibly applicable to environmental crises like oil spills.

NMR analysis has suggested, …

Liquid-Phase Adsorption Of Dimethyl Methylphosphonate On Poly(Ether Imide) And Its Metal Hydroxide-Integrated Composites, Sukanta K. Mondal, Peter O. Aina, Ali A. Rownaghi, Fateme Rezaei

Chemical and Biochemical Engineering Faculty Research & Creative Works

Understanding the Adsorption Behavior of Dimethyl Methylphosphonate (DMMP), a Key Simulant for Some Nerve Agents, is Crucial for Developing Effective Protective Measures and Ensuring Environmental Safety Against Harmful Chemical Warfare Agents. This Study Systematically Explores the Liquid-Phase Adsorption of DMMP over Branched Poly (Ether Imide) (Ultem) and its Ce (OH)4/Zr (OH)4 Metal Hydroxide Composites. Utilizing UV-Visible (UV-Vis) Spectroscopy, the Adsorption Process Was Monitored over Time to Analyze the Interplay between Various Ultem-Based Composites and DMMP Molecules. Nonreactive Ultem Materials Were Experimentally Identified as Suitable Adsorbents for Liquid-Phase DMMP Capture, Providing a Novel Avenue for Protective Filtration Technologies. It Was Found …

Model Of The Effect Of Voltage On Contact Angle In An Electrolytic Cell Reaction, Aaron Essilfie

Reviews, Analyses, and Instructional Studies in Electrochemistry (RAISE)

This paper investigates the hypothesis that the contact angle at the meniscus of an electrode-electrolyte can be altered during a redox reaction through the coupled understanding of electrowetting and capillarity rise. Recent studies in electrowetting have focused on dielectric surfaces but research on contact angle at the electrode-electrolyte surface is lacking. The study employs a basic electrolytic cell. By applying principles of electrowetting and capillary rise the research aims to understand the relationship between applied voltage and contact angle, to advancements in electrochemistry and microfluidics.

Review Of Cyclic Voltammetry Measurements For Uranium In Flinak Molten Salt, Jackson Ivory

Reviews, Analyses, and Instructional Studies in Electrochemistry (RAISE)

The electrochemical behavior of uranium FLiNaK molten salts is explored, focusing on cyclic voltammetry (CV) as a powerful tool for redox characterization and diffusion studies. Through a comprehensive review of recent research, the study highlights the significance of CV in understanding electrode kinetics, material compatibility, and process optimization in molten salt environments. The findings underscore the potential of FLiNaK molten salt reactors in advancing nuclear energy technologies, fuel processing, and waste management strategies. Collaborative interdisciplinary efforts are emphasized to address challenges and accelerate innovation in electrochemical methods for nuclear applications.

Model To Demonstrate Effects Of Mass Transfer And Applied Current In An Electrolytic Cell, George Ankrah

Reviews, Analyses, and Instructional Studies in Electrochemistry (RAISE)

This study investigates the relationship between applied current and resulting cell potential in an electrolytic system, considering the transport of electroactive species. By applying Michael Faraday's laws of electrolysis and the Nernst-Planck equation, the behavior of electroactive species in diffusion-controlled systems with and without stirring is modeled. The plots demonstrate how stirring enhances ion transport and establishes a stable Nernst diffusion layer, affecting the kinetics of electrochemical reactions. Understanding these dynamics is crucial for optimizing electrolysis processes.

Optimization Of Ethylbenzene Production Facility, Chance Ferrell

Honors Theses

Ethylbenzene is a foundational organic compound used as a reactant in styrene production. The objective of this thesis is to present the optimization of the in-house production process of ethylbenzene, aiming to avoid external procurement for the downstream styrene manufacturing facility. The process underlines a strategic approach to enhance the yield and cost efficiency of the production of ethylbenzene. An economic analysis revealed a promising net present value of approximately $57.6 million. This thesis not only proposes a viable route for internal ethylbenzene generation but also discusses optimizing the chemical production processes for enhanced efficiency and sustainability.

An Overview Of How To Measure The Kinetic Properties Of An Anode Material For The Chlorine Evolution Reaction, Cameron Vann

Reviews, Analyses, and Instructional Studies in Electrochemistry (RAISE)

The process of generating chlorine gas using electrolysis in aqueous systems is well established. However, a new process requires chlorine to be generated at high temperatures using molten salt. This harsh environment requires a new study of anode materials for the chlorine evolution reaction. Anode materials can be compared by their kinetic parameters, the transfer coefficient α and the exchange current i0. The basic theory of these properties as they relate to the chlorine evolution reaction has been detailed and an analysis method for finding these effective parameters has been shown and demonstrated.

Ionic Conductivity, Li+ Transference Number, And Diffusion Coefficient Of A Solid-State Electrolyte Composite, Lizbeth Zurita

Reviews, Analyses, and Instructional Studies in Electrochemistry (RAISE)

The design of solid-state electrolyte (SSE) composites involves the fundamental study of transport properties, such as ionic conductivity. This transport property is influenced by the transport mechanisms of the charge species inside the composite, such as diffusion and migration. In this work, we perform the measurement of these three parameters through defined techniques. The resulting parameters were: ionic conductivity, the diffusion coefficient, and the Li+ transference number.

A Computational Investigation Into Thermo-Kinetic Parameters Governing The Decomposition Of Bio-Oil Model Compounds, Ali Huseein Aljefri

Thesis/ Dissertation Defenses

Among notable products from thermal degradation of biomass are simple oxygen-containing aromatics. These compounds typically appear in high loads in collected bio-oil derived from biomass. As such, it is important to comprehend the decomposition chemistry of this category of compounds. This thesis takes on board a general approach to report thermo-kinetic parameters that govern decomposition of a selected set of bio-oil model compounds in two distinct systems: firstly radical-derived pathways in the gas phase and secondly thermal degradation in their condensed media. The first is attained through accurate density functional calculations while the second is accomplished through the use of …

Enhancing Curcumin’S Therapeutic Potential In Cancer Treatment Through Ultrasound Mediated Liposomal Delivery, Remya Radha, Vinod Paul, Shabana Anjum, Ayache Bouakaz, William G. Pitt, Ghaleb A. Husseini

Faculty Publications

Improving the efficacy of chemotherapy remains a key challenge in cancer treatment, considering the low bioavailability, high cytotoxicity, and undesirable side effects of some clinical drugs. Targeted delivery and sustained release of therapeutic drugs to cancer cells can reduce the whole-body cytotoxicity of the agent and deliver a safe localized treatment to the patient. There is growing interest in herbal drugs, such as curcumin, which is highly noted as a promising anti-tumor drug, considering its wide range of bioactivities and therapeutic properties against various tumors. Conversely, the clinical efficacy of curcumin is limited because of poor oral bioavailability, low water …

Investigating The Impact Of Secondary Activation Time On The Adsorption Properties Of Activated Biochar For Arsenic Removal From Wastewater, Achyuth Bharadwaj Rayarao

Graduate Theses and Dissertations (2019 - present)

Biochar, a naturally occurring and renewable carbon material, becomes porous through activation. Activated biochar is an ideal candidate for use as an adsorbent. The objective of this study is to investigate whether activated biochar derived from Colorado soft pine serves as a better adsorbent and demonstrates enhanced adsorption capabilities after undergoing secondary physical activation at various activation times. The effect of secondary action time on physical adsorption properties drawn from the analysis of isotherm plots, surface areas and pore size patterns were examined by using a physisorption analyzer. Chemical structures were identified using both ultimate and proximate analyses, while porosity …

Synthesis Of Acetylene Diols With The Participation Of The Bu4noh/Dmso/H2o Catalytic Systems, Muyassar K. Salieva, Odiljon E. Ziyadullayev, Guzal K. Otamukhamedova, Rifkat F. Talipov, Lochin K. Ablakulov

CHEMISTRY AND CHEMICAL ENGINEERING

The purpose of this work in this study, acetylene alcohols containing heteroatomic substituents in their molecular composition- 2-(-thiophen-2-yl)but-3-yn-2-ol, 2-(3-methylthiophen-2-yl)but-3-yn-2-ol, 2-(furan-2-yl)but-3yn-2-ol, 2-(pyridin-4-yl)but-3-yn-2-ol, 2-(5-chlorothiophen-2-yl)but-3-yn-2-ol, 2-(5-bromothiophen-2yl)but-3-yn-2-ol acetylene diols were synthesized based on the reaction with acetone in a dimethyl sulfoxide solvent in the presence of the Bu₄NOH/DMSO/H₂O catalytic system. The influence of the molar ratio of starting materials, reaction duration, temperature, nature of the catalyst and solvents on the product yield was systematically studied. The composition, purity and structure of the new generation of synthesized acetylenediols have been confirmed by modern physicochemical methods. The mechanism of the reaction process …

Synthesis Of High Molecular Mass Resins Based On Furfuryl Alcohol, Boysayid U. Sayidov, Latif E. Jumanov, Muzaffar G. Alimukhamedov, Sherali A. Umarov, Farhod A. Magrupov

CHEMISTRY AND CHEMICAL ENGINEERING

The purpose of the work is to study the process of synthesis of furfuryl oligomers with high molecular weight at various ratios of furfuryl alcohol and hydroxyl-containing polyether polyol. The influence of the process method on the yield of high-molecular furfuryl oligomer is shown - with a one-step synthesis method with an increase in the amount of furfuryl alcohol from 20 to 50 moles per 1 mole of polyether polyol, the yield of the final product decreases from 75% to 56%, apparently due to high exothermic effects, causing gelation systems. In contrast to the one-time introduction of the catalyst, its …

Synthesis And Technology Of Vinyl Esters Of Aromatic Carboxylic Acids Based On Vinyl Acetate, Askar B. Parmanov, Suvonkul E. Nurmanov, Saida S. Abdurakhmanova, Sarvinoz I. Tirkasheva, Begzod F. Adashev

CHEMISTRY AND CHEMICAL ENGINEERING

In this work the vinylation reactions of aromatic carboxylic acids with vinyl acetate, which contain various substituents, in the presence of 2-chloro-4,6-dimethoxy-1,3,5-triazine were studied for the first time. The influence of the nature of the starting materials, temperature, reaction duration, solvent and reagents - zinc triflate (Zn(OTf)₂, 3,3-diphenylbinaphthol (3,3'-Ph₂BINOL-2Li), tertiary potassium butylate (KO^trBu), butyllithium (BuLi) for the synthesis of vinyl esters. The synthesis of vinyl esters of aromatic carboxylic acids was carried out: benzoiс, 2-phenylacetic, 4-methylbenzoic, 4-methoxybenzoic, 3,4-dimethoxybenzoic, 2-brombenzoic, 4-brombenzoic, 4-fluorobenzoic, 3-nitrobenzoic, 4-nitrobenzoic, 4-tertiary butylbenzoic, 2-chlorobenzoic, 4-chlorobenzoic, 3-hydroxybenzoic and 4-hydroxybenzoic acids has been studied. …