Other Materials Science and Engineering Commons^™

Solubility Characterization Of Organic Molecules For Aqueous Organic Redox Flow Batteries, Anthony W. Ferrell, Harkeerith K. Vij, Seamus D. Jones

College of Engineering Summer Undergraduate Research Program

The major obstacle to renewable energy sources is a lack of long-term energy storage capabilities. Energy produced during the day dissipates, leaving insufficient electricity for at night. The goal of the project is to design an Aqueous Organic Redox Flow Battery (AORFB) to act as long-term energy storage. Work has been done using machine learning to identify suitable compounds for the batteries. In this work there was no indication as to the aqueous solubility of the molecules; this controls the device’s energy storage capabilities. We used a machine learning model to determine the aqueous solubility of slightly more than 3000 …

Fabrication And Characterization Of Lignin–Pva Hydrogels With Tunable Network Structures, Keturah Bethel

All Dissertations

The ability to directly tune the crosslinked network structure of hydrogels is crucial for their functional applications in various fields, such as water filtration, protein separation, and tissue engineering. By controlling the crosslink density of the hydrogel, one can directly alter the mesh size – i.e., the end-to-end distance between crosslink junctions – and, subsequently, directly alter the hydrogel performance. This work discusses the fabrication and characterization of soft composites containing the biopolymer, lignin, are discussed. Precisely, physically-crosslinked composite lignin–Poly(vinyl alcohol) (PVA) hydrogels were fabricated via the freeze-thaw (F/T) pathway, whereby solutions containing specified amounts of PVA and lignin were …

Preparation Of Β-Ni (Oh)2 Nanosheet–Modified Glassy Carbon For Pseudocapacitors, Muhammad Buchari Setia Putra, Aliyah Aliyah, Afiten Rahmin Sanjaya, Respati Kevin Pramadewandaru, Hoeil Chung, Tribidasari Anggraningrum Ivandini

Makara Journal of Science

β-Nickel hydroxide (Ni(OH)₂) nanosheet–modified glassy carbon for pseudocapacitors was successfully prepared. The nanosheets were synthesized via a conventional growth seeding method combined with hydrothermal treatment. Transmission electron microscopy (TEM) characterization indicated the hexagonal structure of the nanosheets of around 15 nm in size, and X-ray diffraction (XRD) pattern confirmed the β-phase lattice crystal. These nanosheets used to modify the glassy carbon surface, increased the electroactive surface area by around 15 times. Furthermore, electrochemical investigation of the modified glassy carbon revealed an excellent performance and a specific capacitance of 628.01 F g⁻¹ at a 1 A g^{−1 …}

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 …

Electrochemical Nitrate Reduction To Ammonia On Cu Based Nanoparticles Using Quantum Mechanical Simulations, Kathan Bhavin Shukla

Theses

Nitrate reduction to ammonia (NRA) is critical for environmental remediation and energy conservation, as it can remove harmful nitrate (NO₃^-) from water sources while producing usable ammonia (NH₃). Cu represents one of the most promising non-noble-metal NRA electrocatalysts. However, the intrinsic catalytic activity of Cu facets and their influence under different pH conditions remain unclear, particularly in the presence of ions commonly found in wastewater such as Cl^-, Na⁺, Mg²⁺, and Ca²⁺. Using density functional theory (DFT) calculations, we evaluated the nitrate reduction to ammonia (NRA) pathways …

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 …

Investigation Of Space Charge Effects On Co2 Electrocatalytic Reduction On Gd-Doped Ceria Via Scanning Kelvin Probe And Model-Based Bayesian Analysis, Alejandro Mejia

Graduate Theses, Dissertations, and Problem Reports (ETD)

In studying novel energy conversion and storage systems, such as high-temperature electrolysis, numerous underlying fundamental physical processes remain unclear or inadequately understood. Among these, the modeling and comprehension of surface reaction mechanisms, coupled with the intricate effects of space‑charge interfaces, remains an unclear and challenging area of research.

The work of this dissertation involves the development of a 2D finite element analysis model, leveraging the robust MOOSE framework from INL. This model, featuring inhomogeneous defect thermodynamics for near-surface chemistry, formulated through Poisson‑Cahn variational theory, has been exploited for studying the electrocatalytic reduction of CO₂ on gadolinia doped ceria. The …

Data-Driven Modeling Of Oxygen Kinetics In La0.6sr0.4co0.2fe0.8o3−Δ (Lscf) For High-Temperature Reduction Of Co2 In An Electrolysis Cell, Ferron Campbell

Graduate Theses, Dissertations, and Problem Reports (ETD)

Electrolysis systems are critical to several societal applications, particularly energy storage and conversion. Developing these systems requires a detailed knowledge of the chemistry and thermodynamics of the materials used in the electrolysis cell. This work focuses on using embedded scientific machine learning as an efficient way to build an interpretable model for the reaction and transport kinetics in the LSCF electrode, whose performance directly influences the electrolysis system’s performance. The models developed in this study are trained using the publicly available machine learning package, FoKL-GP. This package incorporates a robust Gibbs sampler that employs a forward variable selection process to …

Advanced Synthesis And Rational Design Of Support Structures For Nobel Metal Heterogeneous Catalysis: Towards Enhanced Activity And Continuous Processes, Brian R. Clark

Theses and Dissertations

The field of catalysis has a wide-ranging impact. Our group has identified the constant need for improved catalytic activity in high-impact applications such as hydrosilylation and cross-coupling reactions. For these reactions, precious metal catalysts often exhibit markedly better performance than their counterparts, but they can be a significant process cost that decreases overall economic efficiencies. To address this challenge, we explored support structures that can enhance catalytic activity at low metal loadings and improve precious metal recovery through simple filtration. We found that a platinum on graphene nanoplatelet catalyst (PtGNP) synthesized via strong electrostatic adsorption with microwave irradiation (SEA-MW) exhibits …

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 …

Application Of Quantum Algorithms In The Synthesis Of Dynamic Objects, Noilakhon Yakubova

Chemical Technology, Control and Management

Around the world, the food industry is focusing on achieving energy and resource efficiency. One of the main challenges in the field of process automation is the creation of effective control systems using intelligent technologies to improve the quality of processes and achieve the production of high-quality products with less energy and resources. Therefore, it is necessary to work with a large amount of data. Particular attention is paid to the development of computational algorithms for automated high-speed computational analysis systems for processing this data at high speed. Therefore, the article discusses the use of quantum computing methods in controlling …

Design And Characterization Of A Novel Eef2k Degrader With Potent Therapeutic Efficacy Against Triple-Negative Breast Cancer, Changxin Zhong, Rongfeng Zhu, Ting Jiang, Sheng Tian, Xiaobao Zhao, Xiaoya Wan, Shilong Jiang, Zonglin Chen, Rong Gong, Linhao He, Jin-Ming Yang, Na Ye, Yan Cheng

Markey Cancer Center Faculty Publications

Dysregulated eEF2K expression is implicated in the pathogenesis of many human cancers, including triple-negative breast cancer (TNBC), making it a plausible therapeutic target. However, specific eEF2K inhibitors with potent anti-cancer activity have not been available so far. Targeted protein degradation has emerged as a new strategy for drug discovery. In this study, a novel small molecule chemical is designed and synthesized, named as compound C1, which shows potent activity in degrading eEF2K. C1 selectively binds to F8, L10, R144, C146, E229, and Y236 of the eEF2K protein and promotes its proteasomal degradation by increasing the interaction between eEF2K and the …

Novel Castor Oil/Water/Ethanol Pickering Emulsions Stabilized By Magnetic Nanoparticles And Magnetically Controllable Demulsification, Mohammad J. Hasan, Peng Chen, Neithan Dominick, Erick S. Vasquez, Esteban E. Ureña-Benavides

Chemical and Materials Engineering Faculty Publications

A novel castor oil/water/ethanol Pickering emulsion, stabilized by magnetic nanoparticles (NPs), was developed to allow on-demand demulsification by an external magnetic field for the extraction of ethanol from aqueous solution using the castor oil. The emulsion was stabilized by Fe3O4-coated cellulose nanocrystals (CNC@Fe3O4) and lignin-coated Fe3O4 NPs (lignin@Fe3O4). The stability of the emulsions was investigated at various castor oil to ethanol-water ratios (50/50 and 70/30), various NP concentrations, and ethanol concentrations in the aqueous phase. The magnetically controlled demulsification ability of the emulsions was investigated by using a permanent magnet. The results showed that the 70/30 emulsions were more stable …

Corrosion Case Study On Pipeline, Kangze Ren

Corrosion Research

The Kashagan pipeline leaks were likely caused by sulfur stress corrosion cracking, a combined corrosion mechanism developed by the presence of high pressure, the high level of hydrogen sulfide(the main "ingredient" of sour gas), and poor metallurgical choice. Improper welding and poor metallurgical examination were blamed for causing the leaking issue. The purpose of the current review is to raise the alarm about the inappropriate corrosion management of Kashagan oil production and its societal and environmental consequences.

Carbon Fibers From Athabasca Oil-Sand Asphaltenes, Blake Reardon

All Theses

Carbon fibers possess ultra-high specific strength and modulus. Therefore, the material is popular in aerospace, automotive, and sports industries. Approximately 95% of all carbon fibers are spun from a high-cost precursor, polyacrylonitrile (PAN). There is a need for a cheaper grade of carbon fiber for low-cost applications because about half of carbon fiber cost is associated with precursor cost. A promising alternative to the high-cost PAN precursor is petroleum-based asphaltene. Asphaltenes are highly aromatic and have a high carbon content but lack the purity of the PAN precursor. Processes like the molten- sodium desulfurization upgrading have been used to harvest …

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 …

The Study Of Corrosion On Additive-Manufactured Metals., Braydan Daniels

Electronic Theses and Dissertations

The purpose of this study was to investigate and compare the corrosion mechanisms between wrought and additive-manufactured (3D-printed) copper and stainless steel. The experimental procedure consisted of measuring the open circuit potential, electrochemical impedance spectroscopy, linear sweep voltammetry, Tafel analysis, surface topology, and scanning electron microscopy for each metal within salt water, tap water, sulfuric acid, and synthetic body fluid (excluding copper in synthetic body fluid).

Overall, printed stainless steel was more corrosion-resistant than wrought stainless steel in tap water and synthetic body fluid based on OCP, LSV, and surface topology results. Additionally, printed copper was more corrosion-resistant than wrought …

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 …

Liquid-Liquid Equilibria Of Water + Ethanol + Castor Oil And The Effect Of Cellulose Nanocrystal/Fe3o4 And Lignin/Fe3o4 Nanoparticles, Mohammad J. Hasan, Fariba Yehaneh, Amy Ciric, Peng Chen, Erick S. Vasquez, Esteban E. Ureña-Benavides

Chemical and Materials Engineering Faculty Publications

Castor oil has been proposed as a renewable solvent for the liquid extraction of ethanol from water as an alternative to more traditional energy intensive distillation-based methods. The liquid–liquid equilibrium (LLE) of the ternary system water + ethanol + castor oil was determined at 295.15 K using high performance liquid chromatography (HPLC). Castor oil was herein treated as a pseudo-component with the molecular weight of the triglyceride of ricinoleic acid. The experimental data was fitted to the UNIQUAC and NRTL models to obtain parameters for castor oil, and binary interaction parameters for castor oil/ethanol and castor oil/water pairs. The separation …

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 …

Solid-State Shear Pulverization: A Comprehensive Study On Polymer Processing Technology From A Systematic Innovation Perspective, Tyler A. Will

Master’s Theses

Solid-state shear pulverization (SSSP) is a continuous and scalable processing technique that imposes mechanochemical changes in polymer-based materials. It has been shown to impart beneficial properties onto homopolymers or create copolymers and composites through continuous fragmentation and fusion. The unique technology employs cold temperature to keep the polymer in the solid state. This thesis investigates industrial polymer processing in the context of real-world applications. This thesis analyzes SSSP using an organized methodology called systematic innovation (SI). SI facilitates problem solving by assisting engineers in conducting root cause analysis around a material and studying the physical setup of the equipment.

This …

Ambient Ammonia Synthesis Via Microwave-Catalytic Materials And Plasma Chemistry, Siobhan Brown

Graduate Theses, Dissertations, and Problem Reports (ETD)

Ammonia is critical to supporting human life on earth because of its use as fertilizer. The Haber-Bosch process to produce ammonia has been practiced for over 100 years. This process operates at high pressure and temperature to overcome the thermodynamic and kinetic limitations of the ammonia synthesis reaction thus researchers have tried to overcome it for decades. At present this process represents 1% of global energy usage and 2.5% of global CO₂ emissions. The proposed chemical looping ammonia synthesis approach seeks to reduce the environmental impact of this critical process and to elucidate microwave-catalytic principles.

This research aims to …

Carbon Fibers From Bio-Based Precursors Derived From Renewable Sources, Sagar Kanhere

All Dissertations

Carbon fibers have the highest strength and modulus among all known fibers and are used as reinforcements in high-performance composites [1]. Carbon fibers also have a very low density relative to metals. Therefore, carbon fibers possess ultrahigh specific strength and modulus, which make them desirable for high-performance light-weight composites. A vast majority of commercial carbon fibers are produced from PAN precursors that are expensive, which limits the use of PAN-derived carbon fibers to aerospace applications (e.g., airplanes). However, for costsensitive applications, there is a need for low-cost, moderate performance carbon fibers. Lignin is a low-cost by-product of pulping and biorefining …

Synthesis Of A Phosphorus-Based Epoxy Reactive Flame Retardant Analog To Diglycidyl Ether Of Bisphenol A (Dgeba) And Its Behavior As A Matrix In A Carbon Fiber Composite, Mustafa Mukhtar

Chemical and Materials Engineering Faculty Publications

This paper describes the synthesis of a phosphorus-based flame retardant that is a chemical analog of diglycidyl ether of bisphenol A (DGEBA), as well as its incorporation as a matrix into carbon fiber laminates. Carbon fiber composites, if used for structural applications in mass transport vehicles (aircraft, trains), will require some aspects of improved fire performance to be used safely in those applications. The first phase of work involved the development of two separate synthesis routes to produce the flame retardant monomer, referred to as Phosphorus-DGEBA or simply P-DGEBA. The second step was to determine the viability of the compound's …

Identification Of Lithocholic Acid As A Molecular Glass Host For Room-Temperature Phosphorescent Materials, John J. Flynn, Zachary M. Marsh, Douglas M. Krein, Steven M. Wolf, Joy E. Haley, Erick S. Vasquez, Thomas M. Cooper, Nicholas P. Godman, Tod A. Grusenmeyer

Chemical and Materials Engineering Faculty Publications

Lithocholic acid was identified as a molecular glass host material for room temperature phosphorescent (RTP) chromophores. Differential scanning calorimetry (DSC) was performed on a series of structurally similar, biologically sourced molecules, including lithocholic acid, β-estradiol, cholesterol, and β-sitosterol, in an effort to identify new amorphous molecular glasses independent of plasticizing additives. DSC analysis revealed lithocholic acid and β-estradiol form stable molecular glasses post thermal processing unlike neat cholesterol and β-sitosterol. The ability of lithocholic acid and β-estradiol to stabilize high wt. % loadings of d10-pyrene and a mixture of d10-pyrene and an iridium chromophore, bis(2,4-difluorophenylpyridinato)-tetrakis(1-pyrazolyl)borate iridium(III) (FIr6), was also investigated. …

Computational Methods To Simulate Molten Salt Thermophysical Properties, Talmage Porter, Michael M. Vaka, Parker Steenblik, Dennis Della Corte

Faculty Publications

Molten salts are important thermal conductors used in molten salt reactors and solar applications. To use molten salts safely, accurate knowledge of their thermophysical properties is necessary. However, it is experimentally challenging to measure these properties and a comprehensive evaluation of the full chemical space is unfeasible. Computational methods provide an alternative route to access these properties. Here, we summarize the developments in methods over the last 70 years and cluster them into three relevant eras. We review the main advances and limitations of each era and conclude with an optimistic perspective for the next decade, which will likely be …

Preparation, Cure, And Characterization Of Cyanate Ester-Epoxy Blends, Donald A. Klosterman

Chemical and Materials Engineering Faculty Publications

Cyanate ester resins are often blended with lower cost epoxy monomers in order to modify the cost, toughness, and processing characteristics. There are also several choices of catalysts that can be used to improve processing, namely by reducing the cure temperature. This study was undertaken to illustrate how a designed experiment approach can be used to systematically investigate a wide range of material combinations and illuminate the basic cure behavior of some simple cyanate ester – epoxy blend combinations. Two commercial cyanate ester resin products were obtained. Each was blended with a bisphenol F based epoxy resin at two different …