Chemical Engineering Commons^™

Mental Health And Help-Seeking In Engineering Education: Beliefs, Norms, And Intervention Pathways For Undergraduate Students, Matthew D. Whitwer

Theses and Dissertations--Chemical and Materials Engineering

Engineering education is at a critical juncture where supporting student mental health is essential for fostering persistence, equity, and the development of a resilient and innovative workforce. While engineering students experience high levels of distress and low rates of mental health treatment seeking (known as a mental health treatment gap), there is a gap in knowledge around how this compares to that of students in other fields of study. Further, while efforts have been made to improve the mental health treatment gap in engineering, they are limited by a lack of actionable, theory-based targets. Therefore, this dissertation aims to characterize …

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 …

Eco-Friendly Solvent-Based Fabrication Of Single-Layer And Polydopamine-Modified Bilayer Pvdf-Hfp Membranes, Eesh M. Kulshrestha

Theses and Dissertations--Chemical and Materials Engineering

The growing global demand for clean drinking water has intensified the need for advanced water treatment technologies capable of efficiently removing contaminants while maintaining environmental sustainability. Polymeric membrane systems have emerged as an effective approach for water separations due to their high separation efficiency, simplicity, and adaptability to a wide range of water treatment applications. However, traditional membrane fabrication processes often rely on toxic organic solvents, such as N-methyl-2-pyrrolidone (NMP) and diemethylacetamide (DMAc), which pose environmental and health risks. These concerns have led to an increase in regulatory restrictions, primarily through the Registration, Evaluation, Authorisation, and Restriction of Chemicals (REACH) …

Investigation Of Succinylated Zwitterionic Polyethylenimine/Dna Complexes: Performance In Serum, Internalization, And Intracellular Fate, Levi Lampe

Theses and Dissertations--Chemical and Materials Engineering

Gene therapy has promised to revolutionize medicine since the earliest clinical trials, but a lack of delivery methods that are both safe and efficient has hampered progress. Gene therapy with viral vectors is effective at delivering nucleic acids to cells, but is associated with dangerous immunogenic responses and cancer-causing insertions into the genome. Viral vectors are also among the most prohibitively costly therapeutics in medicine. Polymeric vectors avoid these dangers and are made from inexpensive, off-the- shelf materials, but have been hindered by poor efficiency compared to viral vectors.

A benchmark polymer for in vitro nucleic acid delivery has been …

Aqueous Synthesis Of Luminescent Semiconductors For Opto-Electronic Applications, Saurabh Singh

Theses and Dissertations--Chemical and Materials Engineering

The advancement of opto-electronic and scintillation technologies relies heavily on developing low-temperature, eco-friendly, and scalable synthesis routes for high performance luminescent halide-based semiconductor materials. However, traditional synthesis methods for halide-based semiconductors, including hot-injection, solvothermal, solid-state reactions, Ligand-Assisted Reprecipitation (LARP), microwave-assisted synthesis, and thin film deposition techniques (spin coating, physical vapor deposition (PVD), chemical vapor deposition (CVD), etc.), often demand toxic organic/inorganic solvents, elevated processing temperatures, and high vacuum/inert environments. Such constraints limit their scalability, raise environmental concerns, and impede their commercial-level device integration. This research overcomes these long-standing challenges by employing water as a powerful crystallization-directing, and environmentally benign medium …

Utilizing Coal For Mesophase Pitch-Based Carbon Fiber Production: Precursors, Processes, And Progress, Christina M. Thompson

Theses and Dissertations--Chemistry

Graphitic materials possess unique properties due to the unique combination of layered crystalline structure and carbon’s low atomic weight. High performance carbon fiber is one such example, displaying exceptional strength-to-weight ratios, stiffness, and thermal and chemical resistance. These properties render high performance carbon fiber a critical structural reinforcement material in the manufacture of composites across various industries, such as for automotive and aerospace applications. However, balancing fiber performance with precursor and processing costs remains a challenge. As alternative carbonaceous feedstocks are explored, coal has gained interest for utilization in graphitic products as a relatively abundant and low-cost source of aromatic …

Characterization, Performance, And Toxicological Assessment Of Polysulfone-Sulfonated Polyether Ether Ketone Membranes For Water Separation Applications, Muhammad Usman Yousaf, Lucca Madeo Cortarelli, Nerissa I. Jebet, Jason M. Unrine, Nirupam Aich, Olga V. Tsyusko, Isabel C. Escobar

Markey Cancer Center Faculty Publications

The removal of small molecular weight charged compounds from aqueous solutions using membrane remains a challenge. In this study, polysulfone (PSf)- and sulfonated polyether ether ketone (SPEEK)-based membranes were fabricated via non- solvent induced phase separation process (NIPS) using N-Methyl-2-Pyrrolidone (NMP) as solvent and water as non-solvent. Membranes were characterized structurally and morphologically, followed by toxicity assessment conducted before and after filtration, both with and without annealing at various pH values to evaluate potential leaching of trapped solvent from the membrane pores. Additionally, membrane performance was characterized using binary mixtures of cationic and anionic dyes. The results demonstrated selective filtration …

Fluid Pathways For Enhanced Mass Transfer In The Micro Regime: Applications In Novel Pumpless Redox Flow Cell And Zinc Finger Protein-Based Dna Detection, Shaikh Al Mahmud Bhuiyan

Theses and Dissertations--Mechanical and Aerospace Engineering

Precise fluid transport through microscale geometries can help optimize electrochemical and biochemical processes by maximizing the mass transfer rate of reactants. By introducing intricate structural features inside microchannels, it is possible to manipulate the fluid motion and direct the flow towards any surface of interest. In this study, we have demonstrated that rationally designed fluid pathways can improve the performance of electrochemical and biochemical systems.

The emergence of additive manufacturing has enabled rapid fabrication of robust structures with intricate features to guide fluid motion. However, their application in nonaqueous electrochemical systems has been limited due to their interaction with organic …

Valorizing Municipal Solid Waste For Sustainable Aviation Fuel And Polyhydroxyalkanoate Bioplastics: Pyrolysis And Microbial Pathways, Emon Das

Theses and Dissertations--Biosystems and Agricultural Engineering

The escalating global burden of municipal solid waste (MSW), projected to reach 3.88 billion tons annually by 2050, calls for innovative valorization strategies to mitigate environmental impacts and promote a circular bioeconomy. This thesis investigates the conversion of MSW into two high-value products: sustainable aviation fuel (SAF) and polyhydroxyalkanoate (PHA) bioplastics. Chapter one presents comprehensive physicochemical characterization and pyrolysis-GC/MS analysis of MSW feedstocks. The physicochemical results reveal that densification enhances handling and storage properties, while pyrolysis-GC/MS analysis indicates that plastic-rich MSW streams produce bio-oils with favorable hydrocarbon profiles suitable for SAF production, potentially contributing to decarbonization efforts in the aviation …

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 …

Computational Modeling Of The Heat Treatment Of White Oak Bound For Spirit Maturation, Kate E. Mclarney-Popham

Theses and Dissertations--Chemical and Materials Engineering

Maturation of distilled spirits in white oak barrels is a long standing practice known to have great impact on spirit character. Much of this impact can be controlled by the thermal modification of the barrel, since thermal degradation of the wood determines what wood compounds are available to interact with the spirit during maturation. In this work, a computational model for the thermal degradation of wood was developed and, with flavor compound data from literature, was used to investigate the effect of heat treatment on lignin-derived flavor compounds. The computational model in this work accounted for three solid species, three …

The Optimization And Manufacturing Scale-Up Of Polymeric Membranes Using Eco-Friendly Solvents, David Lu

Theses and Dissertations--Chemical and Materials Engineering

Polymeric membranes have become a prominent technology applied in water filtration due to the lower cost, energy input, and simpler manufacturing process relative to other separation technologies. However, the environmental impact of polymeric membrane fabrication remains a hindrance due to the use of hazardous solvents derived from fossil fuels (e.g., DMAc, NMP, DMF) that pose a risk to the environment and human health. Whereas recent studies have demonstrated the proof-of-concept of polymeric membrane derived from eco-friendly solvents, the next steps of optimizing and upscaling the production of these membranes remains understudied and a gap between lab-scale studies and the path …

Ion Hydration In Bulk And Nanoconfined Water: Insights From Machine Learning Force Fields, Zachary D. Baker

Theses and Dissertations--Chemical and Materials Engineering

Understanding ionic hydration remains a central challenge in physical chemistry and materials science, as the interactions between ions and water molecules govern diverse phenomena ranging from electrolyte transport to selective ion separation. While experimental techniques have provided invaluable insights into solvation energetics and coordination numbers, they often lack atomistic resolution, particularly under nanoscale confinement where direct measurement becomes infeasible. Molecular dynamics (MD) simulations can bridge this gap; however, conventional classical force fields are limited by their simplified, fixed functional forms and empirical parameterization, whereas ab initio molecular dynamics (AIMD) achieves higher accuracy at the expense of severe computational cost and …

Understanding The Influence Of Applied Magnetic Field On Aluminum Alloys: Implications On Strength, Precipitate Development And Diffusion Of Solutes, Damilola David Alewi

Theses and Dissertations--Chemical and Materials Engineering

The processing of certain metals and alloys under magnetic fields presents a promising yet underexplored frontier for controlling microstructure alongside improving physical and mechanical properties. Magnetic fields can be strategically applied at different stages of materials processing, from melting and solidification to subsequent heat treatments to achieve targeted properties in materials. Although magnetic fields have been found to aid changes in microstructural evolution and phase equilibria in ferrous materials, there is limited application of this technique in non-ferrous material systems. This dissertation aims at contributing to the understanding of the influence of magnetic field on the mechanical properties and solid-state …

Catalytic Deoxygenation Of Oleaginous Biomass To Renewable Diesel And Sustainable Aviation Fuel Via Decarboxylation/Decarbonylation, Chukwudalu Great Umenweke

Theses and Dissertations--Chemistry

Several technologies have been developed to produce hydrocarbon biofuels – renewable diesel (RD) and sustainable aviation fuel (SAF) – from fats, oils, and greases (FOG), with the hydroprocessing of esters and fatty acids (HEFA) representing one of the most mature pathways. In its current form, HEFA is mainly reliant on the hydrodeoxygenation (HDO) reaction, which has several drawbacks since HDO requires large amounts and pressures of hydrogen, feedstocks of high purity and cost, as well as problematic sulfided catalysts that risk contaminating the biofuel product with sulfur. A process based on decarboxylation/decarbonylation (deCO_x) offers an attractive alternative to …

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 …