Synergistic Reinforcement Of Lignin–Chitosan Hydrogels Using Vanillin As A Sustainable Green Crosslinker, Moses Ayitey-Adjin Jr., Mohammad Jahid Hasan, Jeremy Erb, Kishore Chand, Garry S. Crosson, Kenya Crosson, Esteban Ureña-Benavides, Erick Salvador Vasquez-Guardado

Chemical and Materials Engineering Faculty Publications

While bio-based hydrogels derived from lignin and chitosan are promising sustainable adsorbents, their practical application is hindered by poor mechanical stability. This study addresses this limitation by synthesizing lignin-chitosan hydrogels using vanillin as a green, bio-derived crosslinker via a facile solution-casting method. The formation of imine (Schiff base) linkages between the aldehyde groups of vanillin and the primary amines of chitosan was confirmed by FTIR spectroscopy (C = N stretching at ~ 1602 cm^− 1). SEM and TGA results demonstrated a reduction in the pore size of the crosslinked hydrogel and an enhanced residual thermal mass. Rheological and …

Magnetic Cellulose Nanocrystal Composites: Synthesis, Properties, Applications, And Opportunities, Mohammad Jahid Hasan, Kishore Chand, Esteban E. Ureña-Benavides, Erick S. Vasquez-Guardado

Chemical and Materials Engineering Faculty Publications

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Magnetic Cellulose Nanocrystal Composites: Synthesis, Properties, Applications, and Opportunities

Metal Oxide Nanoparticle‑Integrated Phema Hydrogels: Morphology, Chemical Properties, And Biological Interaction, Venkateswar Rao, Collin Cox, Brandon Clark, Arushi Rai, Erick S. Vasquez-Guardado, Madhuri Kango-Singh, Soubantika Palchoudhury

Chemical and Materials Engineering Faculty Publications

Hydrogels offer attractive matrices for incorporating inorganic metal oxide nanoparticles (NPs) to generate multifunctional hybrid materials, but challenges remain in scalable synthesis and correlating their properties to bio-interaction. Therefore, we report the synthesis and characterization of poly(2-hydroxyethyl methacrylate) (pHEMA) hydrogels, and pHEMA hydrogels encapsulating iron oxide or zinc oxide NPs, using a modified free-radical polymerization. Dose-dependent survivorship studies on Drosophila melanogaster revealed that both NP-embedded hydrogels are tolerated over a wide dose range (e.g., 50–200 mg), although ZnO NP-gels exhibit lower survivorship at some concentrations due to their inherent composition and a wider size distribution of iron oxide NPs.

Polymer-Derived Silicon Oxycarbide (Sioc) And Silicon Carbonitride (Sicn) Ceramics For Advanced Electrochemical Energy Storage Applications, Saja Al Ajrash, Erick S. Vasquez-Guardado

Chemical and Materials Engineering Faculty Publications

Preceramic polymers, especially silicon oxycarbide (SiOC) and silicon carbonitride (SiCN) ceramics, have gained significant attention due to their wide range of applications in many fields, particularly in energy storage devices beyond conventional lithium-ion batteries (LIBs). This review focuses on the synthesis, structural characteristics, and properties of SiOC and SiCN ceramics as electrodes for battery applications. Furthermore, their promising applications as electrode materials for energy storage systems are explored, along with the most recent advances in the development of such materials and their use in lithium-ion batteries (LIBs), lithium-sulfur batteries (LSBs), potassium-ion batteries (PIBs), sodium-ion batteries (SIBs), and supercapacitors. This review …

Self-Assembly Interactions In Magnetite-Coated Cellulose Nanocrystals: Implications For Magnetic Hyperthermia Applications, Mohammad J. Hasan, Erin L. Mcneill, Kishore Chand, Juganta Roy, Monishita Deb, Katherine Schlaak, Sydney Herzog, Yvonne Sun, Sarah Watzman, Esteban E. Ureña-Benavides, Erick S. Vasquez-Guardado

Chemical and Materials Engineering Faculty Publications

Magnetic cellulose nanocrystal (MCNC) nanocomposites are promising sustainable and biocompatible platforms for magnetic hyperthermia; however, the molecular mechanisms governing Fe3O4 adsorption and deposition onto CNCs remain poorly understood. Here, sulfated (S-CNC) and TEMPO-oxidized CNCs (T-CNC) were used to prepare nanocomposites at 1:2 and 1:4 CNC:Fe3O4 mass ratios, enabling a systematic evaluation of how surface chemistry and nanoparticle loading dictate interfacial interactions and magneto-colloidal behavior. Bare magnetite nanoparticles were 21 ± 5 nm by TEM but grew to 144 ± 18 in the DLS measurement at pH 7. The S-CNC nanocomposites had hydrodynamic sizes between 144 and 210 nm, not much …

Charge‐Governed Mechanistic Evaluation Of Aav2 Clarification Via Functionalized Flat Sheet And Hollow Fiber Deconstructed Depth Filters, Mara Baughman‐Leach, Mattie Brock, Malgorzata Chwatko, Dibakar Bhattacharyya

Chemical and Materials Engineering Faculty Publications

The expansion of adeno-associated virus (AAV)-based therapeutics has increased the demand for efficient clarification. In this study, a functionalized deconstructed depth filtration platform was developed to dissect how membrane–virus charge, modulated by pH, influences separation. Three charge regimes, positive (pH 4), neutral (pH 6), and negative (pH 8) between the membranes and AAVs, were examined. The flat-sheet system, composed of sequential 1.2, 0.8, 0.45, and 0.1 µm membranes, enabled the first layer-by-layer analysis of depth filtration behavior. This revealed that Stage 1 and Stage 4 dominate clarification. Remarkably, substantial DNA capture (> 75%) was observed even in the largest-pore stage, …

Creep-Recovery Behavior Of Copper Springs At Low Stresses, Ming-Yen Tsai, Shou-Yi Chang, Yi-Chia Chou, Jyun-Lin Hu, Yulin Zhang, Fuqian Yang, Sanboh Lee

Chemical and Materials Engineering Faculty Publications

Copper springs, unlike conventional wires, endure complex stress states such as torsion and bending under sustained thermal and mechanical loads. This study examines the time-dependent creep-recovery behavior of copper springs under low tensile forces at temperatures ranging from 523 K to 623 K, focusing on springs with spring indexes (ratio of mean spring diameter to wire diameter) of 6.4, 8.5, and 9.6. The non-linear Burgers model with a Kelvin solid effectively captures the deformation response and mirrors dislocation nucleation and annihilation kinetics. SEM and TEM imaging reveal that low-angle grain boundaries (LAGBs) act as both dislocation sources and sinks. The …

Discovering Naturally Occurring Antifreeze Peptides From Microbiome By Integrating Protein Language Models And Molecular Dynamics Simulation, Ibrahim A. Imam, Trevor Morey, Yuexu Jiang, Duolin Wang, Dong Xu, Qing Shao

Chemical and Materials Engineering Faculty Publications

Antifreeze peptides inhibit ice crystal growth and recrystallization, and are promising components of cryoprotective formulations for cell, tissue, and food preservation, as well as anti-icing surface coatings. However, the discovery of new antifreeze peptides has been hindered by their sequence diversity and the limited scalability of experimental screening. In this study, we identify novel antifreeze peptide candidates from a microbiome-derived sequence library using ensemble machine learning and molecular dynamics (MD) simulations. We developed an ensemble classifier composed of 10 adapter-tuned protein-language models and a random forest meta-learner. After training on a curated dataset of 73 766 sequences, we applied this …

Effect Of Protective Mutation On Structure And Dynamics Of Apoe: A Molecular Dynamics Simulation Study, Newton A. Ihoeghian, Usman L. Abass, Ibrahim A. Imam, Qing Shao

Chemical and Materials Engineering Faculty Publications

Apolipoprotein E (APOE) plays a significant role in determining the risk of Alzheimer’s disease (AD). Three mutations—APOE3–R136S, APOE3–V236E, and APOE4–R251G—have been reported to reduce the risk of AD. Unveiling the molecular mechanism behind this reduction could lay a foundation for developing therapeutics for AD. To shed light on this subject, we investigate the mutation-induced variation in structural and dynamic properties of APOE3–R136S, APOE3–V236E, and APOE4–R251G in explicit solvent using molecular dynamics simulations. The APOE2, APOE3, and APOE4 were used as the reference. The analysis unveiled that the three protective mutations may exert protection through different mechanisms. The R215G mutation makes …

Tiny Plastic, Big Trouble: How Polystyrene Nanoparticles Impact Dna-Damage Repair Deficient Cervical Cancer Cells, Jordan D. Berezowitz, Mira C. Fish, Lauren E. Mehanna, Breanna Knicely, Claire E. Rowlands, Eva M. Goellner, Brittany E. Givens

Chemical and Materials Engineering Faculty Publications

Microplastics are becoming increasingly abundant waste products; therefore, the risk of human exposure is also increasing. The cytotoxic consequences of microplastic exposure, particularly in cancer, have yet to be explored. We obtained commercially available polystyrene nanoparticles of uniform size (86.61 ± 6.41 nm) and confirmed the chemical composition and shape using Fourier transform infrared spectroscopy (FTIR) and scanning electron microscopy (SEM), respectively. We evaluated colloidal stability over a range of concentrations from 1–1000 µg mL⁻¹ using hydrodynamic diameter and zeta potential, determining that higher concentrations exhibit greater colloidal stability compared to lower concentrations. Specifically, the zeta potential increased from …

Synthesis And Characterization Of Temperature- And Ph-Responsive Pia-B-Pnipam@Fe3O4 Nanocomposites, Swati Kumari, Cayla Cook, Fatema Tarannum, Erick Salvador Vasquez-Guardado, Olufemi Ogunjimi, Keisha B. Walters

Chemical and Materials Engineering Faculty Publications

Stimuli-responsive polymers (SRPs) have garnered significant attention in recent decades due to their immense potential in biomedical and environmental applications. When these SRPs are grafted onto magnetic nanoparticles, they form multifunctional nanocomposites capable of various complex applications, such as targeted drug delivery, advanced separations, and magnetic resonance imaging. In this study, we employed a one-step hydrothermal method using 3-aminopropyltrimethoxysilane (APTES) to synthesize APTES-modified Fe₃O₄ nanoparticles (APTES@Fe₃O₄) featuring reactive terminal amine groups. Subsequently, via two consecutive surface-initiated atom transfer radical polymerizations (SI-ATRP), pH- and temperature-responsive polymer blocks were grown from the Fe₃O …

Magnetic Nanoparticles: Synthesis And Applications In Life Sciences, Kishore Chand, Erick Salvador Vasquez

Chemical and Materials Engineering Faculty Publications

Magnetic nanoparticles (MNPs) are multifunctional materials with superparamagnetic properties and tunable surface chemistries, making them valuable across diverse fields, such as biomedicine, environmental remediation, and agriculture. This review examines recent advancements in MNP synthesis, encompassing chemical, physical, and environmentally friendly methods while highlighting improvements in size, morphology, and composition control that enhance application-specific performance and environmental sustainability. The review discusses various architectures, including single-core, core–shell, hybrid composites, and stimuli–responsive systems, with an emphasis on their stability, scalability, and functionalization potential. In biomedical applications, MNPs show promise in targeted drug delivery, magnetic hyperthermia, and magnetic resonance imaging contrast enhancement, where biocompatibility, …

Work In Progress: Exploring The Impact Of International Experiences On The Development Of Students’ Entrepreneurial Mindset, Olgha Bassam Qaqish, Marcia Pool, William H. Pennock, Erick Salvador Vasquez, 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) …

Camino—Career Advancement, Mentorship, Inspiration, And Opportunities: A Stem K-12 Outreach Initiative, Hector A. Pulgar, Francisco Zelaya-Arrazabal, Erick Salvador Vasquez, Sebastian N. Martinez Lizana

Chemical and Materials Engineering Faculty Publications

CAMINO is a STEM program designed to promote career advancement, provide mentorship, give inspiration, and offer opportunities for K-12 Hispanic students located in East Tennessee. As part of the educational component of an NSF CAREER grant, the program launched in 2021 and is a collaboration between a research group from the University of Tennessee and one of the high schools with the largest Hispanic populations in the Knoxville Metropolitan area. These students from minority backgrounds may limit their aspirations and may not pursue higher education and/or professional development for numerous reasons, such as limited motivation, insufficient exposure to higher education, …

Entrepreneurially Minded Learning (Eml) Micromoment Activities Generated Using Students' Experiences In A Fluid Flow And Heat Transfer Course, Erick Salvador Vasquez, Megan Morin

Chemical and Materials Engineering Faculty Publications

The Entrepreneurially Minded Learning (EML) Framework involves the 3 C's: curiosity, connections, and creating value. Several design courses, open-ended assignments, and laboratory experiences can successfully lead to EML implementations. However, these implementations require extensive class time and instructor feedback, limiting their use in core engineering courses. Developing EML activities that are active, engaging, and rapid to deploy in a classroom setting can promote the sustained growth of an entrepreneurial mindset (EM). EML micromoment activities are emerging as a practical tool to facilitate the incorporation of the 3 Cs through rapid activity implementations that only last 2 – 30 minutes. These …

Student-Led Video Podcasting In A Chemical Behavior Of Materials Course, Erick Salvador Vasquez

Chemical and Materials Engineering Faculty Publications

Video podcasts, or vodcasts, are a form of podcasting that combines video and audio to deliver various types of educational content effectively. To our knowledge, very few studies have focused on student-produced podcasting for learning technical engineering concepts. This study explores using student-created technical videos in a course on the chemical behavior of materials through three separate assignments. The first assignment centered on sustainability aspects. Students, divided into groups of three, were tasked to review two influential journal articles on plastic waste input into the ocean and metal recycling. Each group had to prepare and deliver a technical script about …

A High-Temperature Lithium-Aluminum Alloy/Oxygen Or Air Fuel Cell, Sarwan S. Sandhu

Chemical and Materials Engineering Faculty Publications

This paper is in support of our current effort in the development of an experimental hybrid (lithium- aluminum alloy/electrolyte/oxygen or air) fuel cell for the acquisition of the experimental data required to characterize its performance behavior. The literature-based assembled formulation provided in this paper can be used to predict the cell open-circuit electric potential, lithium amount in the cell anode alloy, and g-atom ratio of lithium to aluminum in the cell anode as a function of time at any cell discharge current level. The ohmic voltage losses can also be computed in the cell cathode, anode, and two electrolytes at …

A Pyrrole Modified 3,4-Propylenedioxythiophene Conjugated Polymer As Hole Transport Layer For Efficient And Stable Perovskite Solar Cells, Yuanhao Tang, Ke Ma, Wenhao Shao, Yoon Ho Lee, Ashkan Abtahi, Jiaonan Sun, Hanjun Yang, Aidan H. Coffey, Harindi R. Atapattu, Mustafa Ahmed, Qixuan Hu, Wenzhan Xu, Raunak Dani, Limei Wang, Chenhui Zhu, Kenneth R. Graham, Jianguo Mei, Letian Dou

Chemical and Materials Engineering Faculty Publications

Despite the outstanding electric properties and cost-effectiveness of poly- (3,4-ethylenedioxythiophene) (PEDOT) and its derivatives, their performance as hole transport layer (HTL) materials in conventional perovskite solar cells (PSCs) has lagged behind that of widely used spirobifluorene-based molecules or poly(triaryl amine). This gap is mainly from their poor solubility and energy alignment mismatch. In this work, the design and synthesis of a pyrrole-modified HTL (PPr) based on 3,4-propylenedioxythiophene (ProDOT) are presented for efficient and stable PSCs. As a result of the superior defects passivation ability, excellent contact with perovskite, enhanced hole extraction, and high hydrophobicity, the unencapsulated PPr-based PSCs showed the …

Analysis Of Tar And Oil Derived From Pyrolysis And Copyrolysis Of Waste Plastics And Biomass, Anitha Shankaralinge Gowda, Dimitrios Karadimas, Jeffrey Seay

Chemical and Materials Engineering Faculty Publications

Pyrolysis has been proposed as a potential technology for managing the growing volume of plastic waste generated worldwide. Co-pyrolysis of plastic waste with biomass is a promising technology for generating fuel and chemical products. However, this process generates tar as a waste product. The chemical properties of this tar have yet to be thoroughly analyzed. This study presents the results of gas chromatography–mass spectrometry (GC–MS), Fourier-transform infrared spectroscopy (FTIR), and thermogravimetric analysis (TGA) of oil and tar obtained from the pyrolysis of pure plastics including high-density polyethylene (HDPE), low-density polyethylene (LDPE), polyethylene (PE), polystyrene (PS), and plastic-biomass mixtures. GC–MS analysis …

Membrane Filtration Of Nanoscale Biomaterials: Model System And Membrane Performance Evaluation For Aav2 Viral Vector Clarification And Recovery, Mara Leach, Kearstin Edmonds, Emily Ingram, Rebecca E. Dutch, Ranil Wickramasinghe, Malgorzata Chwatko, Dibakar Bhattacharyya

Chemical and Materials Engineering Faculty Publications

The growing demand for viral vectors as nanoscale therapeutic agents in gene therapy necessitates efficient and scalable purification methods. This study examined the role of nanoscale biomaterials in optimizing viral vector clarification through a model system mimicking real AAV2 crude harvest material. Using lysed HEK293 cells and silica nanoparticles (20 nm) as surrogates for AAV2 crude harvest, we evaluated primary (depth filters) and secondary (membrane-based) filtration processes under different process parameters and solution conditions. These filtration systems were then assessed for their ability to recover nanoscale viral vectors while reducing DNA (without the need for endonuclease treatment), protein, and turbidity. …

Fundamental And Application Of Co-Assembly Of Peptides And Proteins: Experiment And Computation, Newton A. Ihoeghian, Qing Shao

Chemical and Materials Engineering Faculty Publications

Peptides and proteins can co-assemble into various nanostructures based on complementary non-covalent interactions such as electrostatic forces, hydrogen bonding, and hydrophobic associations. These co-assemblies create a design space of functional materials for a wide spectrum of energy, environmental, and biomedical applications. This review focuses on the fundamentals and applications of three co-assembling systems: ultra-short peptides, peptides, and proteins. We will present and discuss experimental studies demonstrating applications in drug delivery, tissue engineering, and biomaterials development. We will also discuss the contribution of computational research, including molecular dynamics simulations and machine learning, to enhance our understanding of assembly mechanisms. Integrating experimental …

Supercapacitors With Cotton Shell-Derived Activated Carbons And Porous Polymer Electrolyte Films, Saurabh Singh, Yulin Zhang, S. A. Hashmi, Fuqian Yang

Chemical and Materials Engineering Faculty Publications

Some of the well-known challenges in the field of supercapacitors (SCs), or more specifically, electrical double-layer capacitors (EDLCs), such as low energy density and high cost, have proven to be major barriers to their widespread market success despite having some excellent electrochemical merits such as high-power density and good cyclic stability. In this work, efforts have been made to overcome these gaps and eventually enhance the performance of EDLCs via a cost-effective and eco-friendly approach. To fabricate these EDLCs, a bio-waste, namely, cotton-shell-derived activated carbons (ZnACs) (activated with ZnCl2), was used in a mass ratio of 1 : 2 for …

Improvement Of Cellular Pattern Organization And Clarity Through Centrifugal Force, Lauren E. Mehanna, James D. Boyd, Shelley Remus-Williams, Nicole M. Racca, Dawson P. Spraggins, Martha E. Grady, Brad J. Berron

Chemical and Materials Engineering Faculty Publications

Rapid and strategic cell placement is necessary for high throughput tissue fabrication. Current adhesive cell patterning systems rely on fluidic shear flow to remove cells outside of the patterned regions, but limitations in washing complexity and uniformity prevent adhesive patterns from being widely applied. Centrifugation is commonly used to study the adhesive strength of cells to various substrates; however, the approach has not been applied to selective cell adhesion systems to create highly organized cell patterns. This study shows centrifugation as a promising method to wash cellular patterns after selective binding of cells to the surface has taken place. After …

Integrating Protein Language Model And Molecular Dynamics Simulations To Discover Antibiofouling Peptides, Ibrahim A. Imam, Shea Bailey, Duolin Wang, Shuai Zeng, Dong Xu, Qing Shao

Chemical and Materials Engineering Faculty Publications

Antibiofouling peptide materials prevent the nonspecific adsorption of proteins on devices, enabling them to perform their designed functions as desired in complex biological environments. Due to their importance, research on antibiofouling peptide materials has been one of the central subjects of interfacial engineering. However, only a few antibiofouling peptide sequences have been developed. This narrow scope of antibiofouling peptide materials limits their capacity to adapt to the broad spectrum of application scenarios. To address this issue, we searched for antibiofouling peptides in the vast sequence pool of the microbiome library using a combination of deep learning-based high-throughput search and molecular …

Clarifying The Role Of Η-Phase With Varying Chemistry On Localised Corrosion Of A Cu-Containing 7xxx Al-Alloy By Quasi-In-Situ Tem, S. K. Kairy, Y. Wu, S. Turk, A. Shekhter, Rudolph Buchheit, N. Birbilis

Chemical and Materials Engineering Faculty Publications

Quasi-in-situ transmission electron microscopy was employed to study dissolution associated with η-phase (Mg(Zn,Al,Cu)₂) precipitates in a Cu-containing 7xxx Al-alloy. Two distinct η-phase chemistries, with Cu to (Zn+Mg+Al) ratios ∼0.12 and ∼0.2, were studied in 0.01 M NaCl at pH 6 and 2. In near-neutral NaCl, both η-phase precipitates exhibited ‘duplex’ behaviour, i.e., they were primarily more noble with respect to the surrounding Al-matrix, causing matrix dissolution, and simultaneously established nanoscopic active sites within the noble precipitate itself by generating nanoscale pits. Conversely, η-phase precipitates rapidly dealloyed in acidic NaCl, forming nocrystalline Cu remnants containing twins, which subsequently caused …

Enhancing Intrinsic Ductility In Vnbmotaw High Entropy Alloy: A Combinatorial Investigation With Experimental Evaluation Of Theoretical Predictions, Taohid Bin Nur Tuhser, Ian Stewart Winter, Daryl Chrzan, Thomas John Balk

Chemical and Materials Engineering Faculty Publications

The application of refractory high entropy alloys (RHEAs) as engineering materials has been hindered by their poor inherent ductility. In this study, a novel approach combining thin film combinatorial screening with fragmentation testing was employed to identify intrinsically ductile alloy compositions. Inspired by the physics-based intrinsic ductility parameter, the ‘χ-parameter,’ we investigated the replacement of group VI elements (W/Mo) with group V elements (V, Nb, Ta) in the VNbMoTaW system. Conventional combinatorial analyses, including composition, phase, and hardness assessments, were conducted across a wide range of non-equiatomic configurations. The results revealed a broad compositional space favoring a single-phase body-centered cubic …

The Effect Of Organic Semiconductor Electron Affinity On Preventing Parasitic Oxidation Reactions Limiting Performance Of N-Type Organic Electrochemical Transistors, Maryam Alsufyani, Benjamin Moss, Claudia E. Tait, William K. Myers, Maryam Shahi, Katherine Stewart, Xiaolei Zhao, Reem B. Rashid, Dilara Meli, Ruiheng Wu, Bryan D. Paulsen, Karl J. Thorley, Yuanbao Lin, Craig Combe, Charlie Kniebe-Evans, Sahika Inal, Sang Young Jeong, Han Young Woo, Grant Ritchie, Ji-Seon Kim, Jonathan Rivnay, Alexandra F. Paterson, James R. Durrant, Iain Mcculloch

Chemical and Materials Engineering Faculty Publications

A key challenge in the development of organic mixed ionic-electronic conducting materials (OMIEC) for high performance electrochemical transistors is their stable performance in ambient. When operating in aqueous electrolyte, potential reactions of the electrochemically injected electrons with air and water could hinder their persistence, leading to a reduction in charge transport. Here, the impact of deepening the LUMO energy level of a series of electron-transporting semiconducting polymers is evaluated, and subsequently rendering the most common oxidation processes of electron polarons thermodynamically unfavorable, on organic electrochemical transistors (OECTs) performance. Employing time resolved spectroelectrochemistry with three analogous polymers having varying electron affinities …

Investigating The Effect Of Microwave Pretreatment On Bastnasite Grinding For Comminution Energy Reduction And Rare Earth Recovery, Kaveh Asgari, Qingqing Huang, Rick Q. Honaker, Edward Sabolsky

Chemical and Materials Engineering Faculty Publications

This study explored the impact of microwave pretreatment on the grinding efficiency of bastnaesite ore using a stirred mill. Bastnaesite ore was prepared using a staged crushing and sieving process, followed by microwave pretreatment in a specially designed microwave furnace system. Representative samples of the crushed ore underwent stirred mill grinding, with power draw measurements recorded and adjusted to reflect only the specific energy input required for grinding. Particle size distribution was analyzed periodically using laser particle size analysis. In addition, a Box–Behnken design was used to statistically assess the effects of various parameters on the results, ensuring a robust …

Size And Shape Dependence Of Hydrogen-Induced Phase Transformation And Sorption Hysteresis In Palladium Nanoparticles, Xingsheng Sun, Rong Jin

Chemical and Materials Engineering Faculty Publications

Phase transitions of metals in hydrogen (H) environments are critically import- ant for applications in energy storage, catalysis, and sensing. Nanostructured metallic particles can lead to faster charging and discharging kinetics, increased lifespan, and enhanced catalytic activities. However, establishing a direct causal link between nanoparticle structure and function remains challenging. In this work, we establish a computational framework to explore the atomic config- uration of a metal-hydrogen system when in equilibrium with a H environ- ment. This approach combines Diffusive Molecular Dynamics with an itera- tion strategy, aiming to minimize the system’s free energy and ensure uniform chemical potential across …

Engineering The Coherent Phonon Transport In Polar Ferromagnetic Oxide Superlattices, In Hyeok Choi, Seung Gyo Jeong, Do-Gyeom Jeong, Ambrose Seo, Woo Seok Choi, Jong Seok Lee

Chemical and Materials Engineering Faculty Publications

Artificial superlattices composed of perovskite oxides serves as an essential platform for engineering coherent phonon transport by redefining the lattice periodicity, which strongly influences the lattice-coupled phase transitions in charge and spin degrees of freedom. However, previous methods of manipulating phonons have been limited to controlling the periodicity of superlattice, rather than utilizing complex mutual interactions that are prominent in transition metal oxides. In this study on oxide superlattices composed of ferromagnetic metallic SrRuO3 and quantum paraelectric SrTiO3 , phonon modulation by controlling the geometry of superlattice in atomic-scale precision is realized, demonstrating the coherent phonon engineering using structural and …