Chemical Engineering Commons^™

Natural Fiber Reinforced Composites For Sustainable Additive Manufacturing., Athira Nair Surendran

Electronic Theses and Dissertations

Carbon fiber is widely known for its exceptional strength, making it a sought-after material in composite manufacturing, especially with thermosets and thermoplastics. Its major applications span aerospace, wind turbines, sports equipment, automotive interior and exterior parts, robotics and medical equipment. Recently, carbon fiber filament manufacturing has gained attention due to the availability of desktop 3D printers and the versatility and customizability that comes with the realm of 3D printing. Commercial carbon fiber production, primarily from polyacrylonitrile (PAN), is energy-intensive and derived from crude oil, contributing to significant environmental impacts and poor recyclability. Alternatively, lignocellulosic natural fibers present a possible sustainable …

Constant-Ph Molecular Dynamics At Inorganic Interfaces: Adding A New Dimension To Simulations Of Interfacial Phenomena., Ted Kalbfleisch

Electronic Theses and Dissertations

This dissertation explores the application of novel molecular dynamics simulation methods to better understand complex systems, with a particular focus on silica materials and protein interactions. Silica materials, known for their versatile surface and solution chemistries, play critical roles in catalysis, chromatography, and wastewater treatment. Despite their widespread use, the molecular-level interactions between silica surfaces and their environments remain poorly understood. To address this knowledge gap, we employed λ-dynamics enabled constant pH molecular dynamics to dynamically model protonation and deprotonation events on silica surfaces. Traditional experimental techniques such as x-ray crystallography, NMR, and cryo-EM are inadequate for probing structures in …

Development And Characterization Of Automated Screen Mesh-Based Microfluidic Device To Perform Continuous Countercurrent Liquid-Liquid Extraction, Quinn Mcculloch

Nanoscience and Microsystems ETDs

Continuous Countercurrent Microfluidic Liquid-Liquid Extraction (CC-MLLE) shows tremendous potential to generate large numbers of equilibrium stages of separation in a small footprint, with a minimum of pumping, valving, and phase separation steps. However, CC-MLLE rarely appears in literature because it requires a delicate balance between capillary and hydrodynamic forces for deterministic flow.

This dissertation showcases a patented screen mesh-based CC-MLLE invention that performs stable, long-duration (> 36 hr.), countercurrent liquid-liquid extraction and achieves 37 equilibrium stages within a 38.5 μl internal volume. The device is fabricated from chemically resistant polyetheretherketone plastic, using standard machine shop equipment, a plotting cutter, screen …

Performance And Environmental Assessment Of Biochar-Based Membranes Synthesized From Traditional And Eco-Friendly Solvents, Abelline Katusiime Fionah, Isaac Oluk, Laura Brady, Diana M. Byrne, Isabel Escobar

UK CARES Faculty Publications

Water contamination resulting from coal spills is one of the largest environmental problems affecting communities in the Appalachia Region of the United States. This coal slurry contains potentially toxic substances, such as hydrocarbons, heavy metals, and coal cleaning chemicals, and its leakage into water bodies (lakes, rivers, and aquifers) can lead to adverse health effects not only for freshwater bodies and plant life but also for humans. This study focused on two major experiments. The first experiment involved the use of biochar to create a biochar–polysulfone (BC-PSf) flat-sheet multifunctional membrane to remove organic contaminants, and the other major experiment compared …

Assessing Global Engagement Interventions To Advance Global Engineering Competence For Engineering Formation, Scott Schneider, Erick S. Vasquez-Guardado, Corinne Mowrey, Michael Moulton, Homero Murzi, Matthew A. Witenstein

Chemical and Materials Engineering Faculty Publications

This paper summarizes the work performed during the first year of a collaborative Research Initiation in Engineering Formation (RIEF) project focused on assessing the formation of a global learner mindset in engineering students through the use of different types of global engagement interventions without extended international travel. During this year the global engagement interventions have been developed, piloted, and assessed using the Global Engagement Survey (GES) and Global Engineering Competency Scale (GECS) instruments in a pre and post format. The assessment results helped the research team update the interventions and refine the assessment strategy, including the addition of new qualitative …

Work In Progress: Exploring The Impact Of International Experiences On The Development Of Students’ Entrepreneurial Mindset, Olgha Bassam Qaqish, Marcia Poole, William Pennock, Erick S. Vasquez-Guardado, Fahmidah Ummul Ashraf

Chemical and Materials Engineering Faculty Publications

International experiences, including collaborative online international learning (COIL) experiences that naturally increase accessibility, are of interest to many undergraduate students. These experiences provide educators a unique opportunity to develop a student's entrepreneurial mindset (EM). Additionally, hands-on experiences aligned with the National Academy of Engineering’s (NAE) grand challenge themes (Sustainability, Security, Health, and Joy of Living) support connections between the experience, disciplinary knowledge, multicultural awareness, and EM. Through this Work-in-Progress (WiP) study, we seek to answer: 1) How do international experiences influence undergraduate science and engineering students’ EM, and 2) How does the international experience modality (i.e., study abroad or COIL) …

Enhancing Entrepreneurial Minded Learning Of Process Control And Heat Transfer Concepts Using Micromoments And Concept Maps, Erick S. Vasquez-Guardado, Ricardo Gomez Gonzalez, Jean M. Andino, Nilza D. Aples, Xiaojing Yuan

Chemical and Materials Engineering Faculty Publications

The Entrepreneurially Minded Learning (EML) Framework seeks to infuse an Entrepreneurial Mindset in engineering students. The EML framework is founded on the 3 C’s principles of curiosity, connections, and creating value. Assessing EML efforts, however, is a well-known challenge for many engineering courses that do not have a design component. Through concept maps and micromoment activities, this work seeks to answer the following questions: Does implementing micromoment activities enhance students’ EML in two core areas of chemical engineering, i.e., heat transfer and process controls? A secondary research question is whether introducing a physical device in lectures enhances students’ EML. The …

Using Micromoments And Concept Maps To Enhance Entrepreneurially Minded Learning Of Indoor Air Pollution Control, Jean M. Andino, Erick Salvador Vasquez-Guardado, Ricardo Gomez Gonzalez, Xiaojing Yuan, Nilza D. Aples

Chemical and Materials Engineering Faculty Publications

Micromoments targeted toward indoor air quality were introduced to students in an Air Quality Engineering course to enhance their entrepreneurial mindset. Three micromoment activities, i.e., “Question Frenzy”, “Make It Relevant”, and “How Do We Make It Better?” that are linked, respectively, to the curiosity, connections, and creating value elements of EM were deployed in the class in the context of the use of a Corsi Rosenthal cube (a do-it-yourself structure that has recently become popular as an inexpensive way to reduce indoor particle pollution). Students generated concept maps pre-and post- micromoment intervention using the freely available CMap Tools software. The …

Utilization Of Iron Fillings Solid Waste For Optimum Biodiesel Production, Fady Ihab Bayoumy Eng., Ahmed Osman Ahmed Dr., David W. Rooney Dr., Mai H. Roushdy

Chemical Engineering

This study explores the innovative application of iron filings solid waste, a byproduct from mechanical workshops, as a heterogeneous catalyst in the production of biodiesel from waste cooking oil. Focusing on sustainability and waste valorization, the research presents a dual-benefit approach: addressing the environmental issue of solid waste disposal while contributing to the renewable energy sector. Particle size distribution analysis, X-ray diffraction (XRD), scanning electron microscopy (SEM), X-ray fluorescence (XRF), Thermal analysis (TG-DTA), and FTIR analysis were used to characterize the iron filings. The response surface methodology (RSM) was used to guide a series of experiments that were conducted to …

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 …

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 …

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, …

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.

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 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.

Computational Predictions Of Heart Failure Drug Effects On Cardiac Fibrosis, Aaron Gardner

Chemical Engineering Undergraduate Honors Theses

The extracellular matrix is a complex system surrounding cells that is crucial to all of the cardiovascular system’s functions. Fibrosis is an excessive accumulation (scarring) of the extracellular matrix. Fibrosis is typically a negative event, and the scarring must be reduced in the heart in order to maintain its functionality. Due to this, simulations are run using the software “Netflux” in order to determine the effects of different heart failure drugs on cardiac fibrosis. The drugs that were simulated were an ACE Inhibitor, BAR Beta Blocker, ARB Blocker, and Entresto. These drugs were simulated over 50 hours at three different …

Modeling Sex-Specific Changes In Myocardial Fibrosis, Grace Martin

Chemical Engineering Undergraduate Honors Theses

Heart disease the leading cause of death for both men and women in the United States. Cardiac fibrosis, or accumulation of extracellular matrix proteins in the heart, can occur after a heart attack and increase the risk for further complications. Current treatments for heart disease do not include extracellular matrix regulators, partly due to the complicated signaling network responsible for the production of these proteins. By using a computational model of the signaling network in cardia fibroblasts, the relationship between particular molecules and downstream extracellular matrix production can be examined.

Biological sex is an important factor for cardiac health and …

Study Of Reactive Distillation Equipment For Eterification Process, Abbos Elmanov, Abdulaziz Bakhtiyorov, Adham Norkobilov, Olimjon Maksudov, Zarif Oripov

CHEMISTRY AND CHEMICAL ENGINEERING

The purpose of this work is to study the chemical technological processes for eterification processes, and the reactive distillation unit, which carries out the reaction and separation process in one device, was chosen as the object of research. А reаctive distillаtion system is exаmined to produce for the production of Ethyl Acetate (EtAc) viа eterificаtion of acetic acid (HAc) with ethаnol. Optimizаtion methods using sensitivity analysis аre аlso conducted. Cаlculаtion of vаpor liquid equilibrium of the mixture system is done using UNIFАC model. Heat integration from the distillate stream of the column to the acid feed stream and from bottom …

Research Of The Influence Of Physical And Chemical Properties Of Coal On The Gasification Process Using The Example Of Angren Brown Coal, Murodjon Mamitbekovich Kavkatbekov, Rakhimzhan Pachekhanovich Babakhodzhaev

Technical science and innovation

The influence of the properties of Angren brown on the process of layered gasification was studied. The dependence of the calorific value of the resulting gas on the quality characteristics of coal when using air as a gasifying agent has been established. Methods are shown for increasing the calorific value of gas obtained during the gasification process when using coal with different moisture content and different fractional composition. The features of technological processes in the reaction zones of a laboratory gas generator have been studied. Based on generally accepted methods, the volume fractions of flammable components, as well as the …

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 …

Experimental Thermal Conductivity Studies Of Agar-Based Aqueous Suspensions With Lignin Magnetic Nanocomposites, Bishal Gautam, Saja M. Nabat Al-Ajrash, Mohammad Jahid Hasan, Abhishek Saini, Sarah J. Watzman, Esteban Ureña-Benavides, Erick S. Vasquez-Guardado

Chemical and Materials Engineering Faculty Publications

Nanoparticle additives increase the thermal conductivity of conventional heat transfer fluids at low concentrations, which leads to improved heat transfer fluids and processes. This study investigates lignin-coated magnetic nanocomposites (lignin@Fe₃O₄) as a novel bio-based magnetic nanoparticle additive to enhance the thermal conductivity of aqueous-based fluids. Kraft lignin was used to encapsulate the Fe₃O₄ nanoparticles to prevent agglomeration and oxidation of the magnetic nanoparticles. Lignin@Fe₃O₄ nanoparticles were prepared using a pH-driven co-precipitation method with a 3:1 lignin to magnetite ratio and characterized by X-ray diffraction, FT-IR, thermogravimetric analysis, and transmission electron …

Dough Rheology And Its Influence On Sheeting Behavior, Najat Albarakati

Graduate Theses, Dissertations, and Problem Reports (ETD)

Dough is the starting material for a large number of baked products, including cookies, crackers and bread. In commercial food processing operations, it is desired to obtain the same product and with the same dimensions in a reproducible manner in order to minimize waste. In the case of dough, the flour used, and the nature and amount of ingredients employed depend on the specific product and the market served. This research was aimed at relating cracker dough rheology to sheeting behavior between two counter-rotating rollers. The sheet that is formed is used to punch out the crackers that are then …

Strategies For Process Systems Mapping And Control Based On Operability Analysis, Victor Manuel Cunha Alves

Graduate Theses, Dissertations, and Problem Reports (ETD)

This dissertation aims to develop strategies for process systems engineering (PSE) mapping using models, emerging tools and algorithms motivated by process operability analysis research. Such strategies will be employed to ensure simultaneous design and control of large-scale industrial systems. The emerging tools and techniques in this research include supervised machine learning-based (ML-based) operability mapping, automatic differentiation (AD) for implicit mapping, and the development of a systematic mapping approach for control structure selection using operability analysis. Thus far, the developed operability algorithms either recur to nonlinear programming (NLP) solutions which are computationally expensive or to linearizing the underlying modeling task at …

Alloy Corrosion Resistance Project, Noah Gourley

Williams Honors College, Honors Research Projects

This Honors Research Project aims to determine the material performance of two metal alloys – 316L and Alloy 20CB-3 – in terms of corrosion resistance. The project will answer the following research questions: What effect do phosphoric acid and heptanoic acid solutions have on the passive film of 316L and Alloy 20CB-3 metal alloys? How do the metal alloys resist corrosion under flow conditions of the acids? What is the viability of these alloys to be used in a chemical process involving these acids?

Assessing Co2 Capture On Amine Sorbents At Low Vacuum Swing Conditions, Brock Haas, Payton Taylor

Williams Honors College, Honors Research Projects

Carbon dioxide (CO2) emissions to Earth's atmosphere have increased rapidly in recent decades largely due to growing fossil fuel use in human-led activities The research contained in this proposal assesses a way to capture CO2 concentration in the atmosphere. The project studies the effectiveness of a vacuum swing adsorption (VSA) process for capture of CO2 from air. CO2 will first be adsorbed by introducing an amine sorbent to a CO2-rich environment for a predetermined period. The amine sorbent will be placed in a VSA unit that will operate at the desorption stage. The sorbent will then be sent to a …

Design Of An Experimental Solid Rocket Motor, Johnathan Bettes, Andrew Fuller

Williams Honors College, Honors Research Projects

This project utilizes mechanical and chemical principles to characterize propellant grains and to manufacture a custom nozzle to create experimental Solid Rocket Motors (SRMs) with a propellant called Angry Listerine. For the propellant grains, one major non-chemical factor that determines its thrust performance is the grain geometry, or the core of the grains for which hot gases flow through the propellant and out of the nozzle to further react with exposed chemical surfaces. The two kinds of grain geometries analyzed and tested in this report are called MoonBurner, an offset circular core, and Finocyl, a gear-shaped core. The nozzle for …

Machine-Learning-Assisted Design Of Deep Eutectic Solvents Based On Uncovered Hydrogen Bond Patterns, Usman Lame Abbas, Yuxuan Zhang, Joseph Tapia, Md Selim, Jin Chen, Jian Shi, Qing Shao

Markey Cancer Center Faculty Publications

Non-ionic deep eutectic solvents (DESs) are non-ionic designer solvents with various applications in catalysis, extraction, carbon capture, and pharmaceuticals. However, discovering new DES candidates is challenging due to a lack of efficient tools that accurately predict DES formation. The search for DES relies heavily on intuition or trial-and-error processes, leading to low success rates or missed opportuni- ties. Recognizing that hydrogen bonds (HBs) play a central role in DES formation, we aim to identify HB features that distinguish DES from non-DES systems and use them to develop machine learning (ML) models to discover new DES systems. We first analyze the …

Nanoparticle Stabilized Interfaces And Their Effect On Foam Stability, Nicole T. Donovan

Dissertations and Theses

No abstract provided.

Hydrodynamics Of Drops And Particles Driven By Marangoni And Diffusiophoretic Forces, Subramaniam Chembai Ganesh

Dissertations and Theses

This study investigates the hydrodynamics of particles and drops driven by forces generated by an asymmetrical physical and chemical surrounding environment. In the first part, a novel colloidal motor design driven by surface tension forces is proposed, utilizing an active Janus particle encapsulated in an immiscible liquid drop to form a compound drop/particle. Marangoni forces induced by asymmetric solute adsorption at the liquid-liquid interface of the drop propels the compound system. The propulsion speeds of the motor are analyzed for various relative sizes and configurations of the Janus particle and the encapsulating drop and the effects of varying the transport …

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 …