Chemical Engineering Commons^™

Mechanical Fractionation Of Wheat Middlings For Application In Pyrolysis And Animal Feed, Okwudili I. Obiakor

Dissertations, Master's Theses and Master's Reports

Wheat middlings are grain byproducts that are underused for bioenergy production despite having a high lignocellulose content. Its use as a feedstock for catalytic pyrolysis depends on effective and sustainable fractionation to enhance efficiency and product yield. This study tested mechanical pre-fractionation (sieving and air classification) to reduce ash content of certain fractions to < 1% for catalytic pyrolysis and enrich nutrient levels of other fractions for feed applications. Wheat middlings were separated into 11 fractions using screen sizes from 106 µm to 1651 µm, and the composition of each fraction was characterized (ash, protein, structural carbohydrates, lignin, starch, and simple sugars). For cyclone separation, a full factorial design was used to study the effect of air velocity (15,18, 20 m/s) and feed rate (33, 35, 38 kg/h) on the amount of material collected in the underflow and overflow, and the composition of these fractions was characterized. Sieving showed a pronounced segregation of ash content, from 4.5% to 6.5% in wheat middlings fractions, with 5.7% being the lowest for coarse fractions which has higher lignocellulose content, and 4.5% in the fine fraction (150-212 µm). The same defined enrichment was observed in all nutrients except for protein. Starch enrichment zone were defined in the fine fractions (212 µm and below), for structural carbohydrates and lignin in the coarse fractions (600 µm and above), and for ash in coarse fractions (1180-1651 µm). In contrast, protein content was not significantly different between various fractions (p value=0.787). The fiber rich fraction (> 600 µm), suitable for pyrolysis, which have a composite ash value of 6.0% can be sorted and mixed with intermediate fractions to reduce ash to 5.3% and the remaining fractions rich in digestible nutrients used for animal feed formulation. Compared to sieving, cyclone separations did not …

Feasibility Of Upcycling Spent Lithium-Ion Battery To Carbon Dioxide Capture Adsorbent, Chimezie Frank Onwudinjo

Master’s Theses

This study investigates the feasibility of repurposing spent lithium-ion battery (SLIB) to lithium orthosilicate (Li₄SiO₄), a high temperature carbon dioxide sorbent. Two synthesis pathways including conventional acid-leaching method (Scenario 1) and a pyrolysis-based route (Scenario 2) were explored. Additionally, techno-economic analysis (TEA) and lifecycle assessment (LCA) of the two processes were also performed. Different analytical characterization techniques were performed to understand the material properties of Li₄SiO₄ including surface area, crystallinity, morphology and thermal stability. CO₂ capture performance of the synthesized Li₄SiO₄ was tested in a thermogravimetric analyzer (TGA) using …

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 …

Novel Methods For Environmental Fluoride Measurement, Cable Warren

Chemistry & Biochemistry Dissertations

Fluoride analysis has been an important focus of analytical analysis for many years and will continue to be so going forward. Today, fluorinated compounds, specifically per/polyfluoroalkyl substances (PFAS), better known as “forever chemicals” have captured the moment and are the subject of vast research and regulation. Under this context, I have researched new methods of fluoride separation and concentration in complex media as well as a novel method of PFAS destruction and total organic fluorine analysis for screening of PFAS in aqueous samples. Through research and work on micro-scale detection methods, an understanding of the state of the art and …

Dynamics Of Single-Walled Carbon Nanotubes In Structured Complex Fluids, Sepehr Yari

Open Access Master's Theses

Cancer survival depends strongly on the stage at which the disease is detected, motivating the development of biosensors capable of identifying early changes in cellular state. Single-walled carbon nanotubes (SWCNTs) are promising intracellular biosensors because their intrinsic near-infrared fluorescence, photostability, and tunable surface chemistry and lenght enable prolonged measurements in living cells. Disease such as cancer can progress and alter intracellular physical properties, suggesting that SWCNT motion may provide a physical readout of changes in cellular state. Interpreting this motion is challenging, however, because the cytoplasm is structurally heterogeneous and contains both passive fluctuations and active transport processes. As a …

Catalytic Hydropyrolysis Of Beetle Killed Trees For The Production Of Transportation Biofuels, Oluwanisola Makinde, Fernando L.P. Resende, Michael Asama, Demian F. Gomez

Jasper Department of Chemical Engineering Faculty Publications and Presentations

We conducted catalytic hydropyrolysis of beetle-killed trees: Pine, Ash tree, and Redbay in a micro-pyrolyzer (Py/GC–MS) and investigated the performance of heterogeneous catalysts like HZSM-5, NiMo-HZSM- 5, and NiRe-HZSM- 5. We also investigated the effects of temperature, catalyst-to- biomass ratio, and hydrogen pressure on product yield. Our findings reveal that aromatic yields increase with temperature and catalyst-to- biomass ratio but decline at higher hydrogen pressures; additionally, higher catalyst acidity enhances both total hydrocarbon production and selectivity toward C7–C8 aromatics, with each feedstock exhibiting distinct optimal conditions. The type of metal doped on the HZSM-5 zeolite plays an important role in …

Optimization Of Carbon Capture And Sequestration In The Tri-State Hub West Virginia, Ohio, And Pennsylvania, Saif Abdullah Saif Al-Nabhani

Graduate Theses, Dissertations, and Problem Reports (ETD)

Carbon Capture and sequestration (CCS) is a critical way for the decarbonization of power and industrial sectors. The Tri-State area between West Virgina, Ohio and Pennsylvania are a diverse region with various CO₂ sources, deep saline, depleted reservoirs, pipeline network, and the midstream infrastructure that makes it possible for Captured CO₂ to be safely and economically moved and stored over long periods of time. This project addresses the need for an integrated optimization framework that includes CO₂ sources to potential storing sites using a transportation network design and a subsurface model that secures storage and minimizes leakage risk.

The model …

Deep Learning Approaches For Voltammetric Analysis Of Coffee, Ryan Koes

Honors Theses

This thesis investigates deep learning approaches for voltammetric analysis of brewed coffee using a low-cost electrochemical system and screen-printed electrodes (SPEs). Traditional analytical methods, such as high-performance liquid chromatography (HPLC) and gas chromatography-mass spectrometry (GC-MS), provide precise quantification of key compounds but require expensive instrumentation and specialized expertise, limiting accessibility. While SPEs offer a more accessible alternative, they yielded poor results with traditional processing; however, when combined with a neural network, the system proved more effective. In experiments with 132 coffee samples, mean errors for caffeine, CGA, and TDS predictions were 52.98 ppm, 70.48 ppm, and 0.08%, respectively. These findings …

Dielectrophoretic Biomarkers For Cancer Detection And Cell Analysis: Integrating Microfluidics And Ai, Raphael Olumide Oladokun

Graduate Theses, Dissertations, and Problem Reports (ETD)

Pancreatic ductal adenocarcinoma (PDAC) carries a five-year survival rate of 13%, driven largely by late-stage diagnosis and the absence of sensitive noninvasive screening tools. Current diagnostic methods lack the sensitivity to detect disease-associated systemic changes at early and precancerous stages, representing a critical clinical gap. This dissertation addresses the central hypothesis that PDAC and its pathological subtypes induce measurable, disease-associated electrophysiological changes in circulating PBMCs that can serve as correlative liquid-biopsy biomarkers. To test this hypothesis, this work asks: can dielectrophoresis (DEP), impedance and zeta potential analysis with AI-assisted classification distinguish benign pancreatic conditions (non-malignant control), precancerous lesions (primarily IPMNs), …

Elucidating Structure–Reactivity Relationships In Ni-Catalyzed Co2 Methanation, Majed Alam Abir

Graduate Theses, Dissertations, and Problem Reports (ETD)

The catalytic hydrogenation of carbon dioxide (CO₂) to methane represents a promising strategy for carbon utilization and renewable energy storage within power-to-gas systems. When coupled with hydrogen derived from renewable electricity, CO₂ methanation enables the conversion of intermittent energy sources into storable and transportable chemical fuels compatible with existing natural gas infrastructure. Nickel-based catalysts have emerged as leading candidates for this reaction due to their high activity towards CO₂ methanation, abundance, and cost. However, the performance and long-term stability of Ni catalysts are strongly influenced by catalyst support properties, Ni nanoparticle size, and promoter effect, and …

Plant-Wide Process Modeling, Techno-Economic Optimization, And Bayesian Uncertainty Quantification For Manufacturing Value-Added Products From Lignocellulosic Biomass, Poulomi Das

Graduate Theses, Dissertations, and Problem Reports (ETD)

For decades, many chemicals have been produced from fossil resources, contributing to resource depletion, pollution from extraction and refining, and hazardous byproducts. Growing environmental concerns and declining fossil reserves have intensified the search for sustainable sources of fuels, energy, and chemicals. Lignocellulosic biomass, the only abundant renewable carbon source, is therefore being explored as a feedstock for second-generation biofuels and high-value chemicals.

Currently, global wood-panel industry heavily depends on petroleum-derived commercial adhesives like phenol-formaldehyde, urea-formaldehyde, etc. These formaldehyde-based chemicals cause hazards to both human health and environment through emission of toxic volatile organic compounds. Typically, lignin is considered as one …

Supply Chain Optimization For Fertilizer Production From Wastewater, Ethan Clement Robey

Graduate Theses, Dissertations, and Problem Reports (ETD)

In West Virginia, approximately 27,000 tons of wastewater solids are generated annually, with nearly 75% being landfilled or alternatively disposed of in a non-beneficial manner. Over the past two decades, the amount of these solids being taken for beneficial uses, such as agricultural application, has declined by 25%, while landfilling has increased by more than 30%. This highlights issues related to eutrophication and disposal costs. This study aims to develop a supply chain optimization framework that addresses the conversion of wastewater solids into fertilizers to match local farm requirements, while determining processing facility locations that minimize transportation costs. To determine …

Made On Mars: Design And Manufacturing Of Structural Polymer-Regolith Composites, Pailey M. Vitale

Williams Honors College, Honors Research Projects

Human exploration of Mars is constrained by harsh environmental conditions and the prohibitive cost of transporting materials from Earth. Long-term sustainability requires the local production of mechanical and structural components using resources available on Mars, thereby minimizing payload mass. This project investigates polymer–regolith composites derived from atmospheric CO₂ and mineral-rich regolith as a pathway toward in-situ manufacturing. These composites, when compatible with additive manufacturing, could replace imported plastics, enable on-demand fabrication, and support closed-loop recycling systems. The objective is to design and evaluate polymer–regolith composites that maintain mechanical integrity and environmental resistance under Martian conditions, including extreme temperature swings, radiation …

Energy Efficient Windows Using Pvme, James S. Bronstrup

Williams Honors College, Honors Research Projects

This Honors Project aims to improve window energy efficiency using the thermoplastic polymer PVME (polyvinyl methyl ether), which displays temperature-dependent transparency that can be adjusted by mixing it with water and salt to reduce heat transfer through a window. The objective is to determine the optimal PVME water-salt ratios for placement inside a windowpane, evaluate energy savings compared to a traditional argon-filled window, and compare estimated costs. A small-scale model will test different concentrations for various climates, with heat transfer measured by temperature indicators via a LabQuest. Building on research by Yang Zhou at Nanyang Technological University, who used a …

Microscopic Insights On Shear Rheology Of Polyampholyte Ionomers Via Molecular Simulations, Kyle Vonscio

Williams Honors College, Honors Research Projects

Ionomers are polymers that contain a small fraction of charged groups. The ionic attraction of charged groups allows ionomers to act similarly to crosslinked polymers. Depending on the strength of electrostatic interactions and structure of the ionomers, different dynamics and rheological responses can be observed. With moderate attraction between ions, these noncovalent crosslinks can be broken when heated, allowing ionomers to flow and show the strength of a crosslinked network at low temperatures. Nonequilibrium molecular dynamics (NEMD) simulations will be performed under shear in the xy-plane and the macroscopic rheology and conformation of the polyampholyte ionomer will be determined. The …

Determining Critical Micelle Concentrations Of Standard Surfactants And Rhamnolipids, Kathryn E. Kunz

Williams Honors College, Honors Research Projects

My proposed project will study the critical micelle concentration (CMC) of rhamnolipids using the pendant-drop and drop-weight methods. First, the critical micelle concentrations of ionic and nonionic common surfactants will be tested. Sodium Dodecyl Sulfate (SDS) will be used as an ionic surfactant and Tween 20 will be used as a nonionic surfactant. The critical micelle concentrations will be determined using the pendant-drop and drop-weight methods. The experimental results from the standard surfactants compared to their accepted values will be tested to assist with determining a more suitable approach. Completing the tests will provide a better understanding of critical micelle …

Analyzing The Effect Of Network Properties On Self-Assembly Of Polymer Grafted Nanoparticles In Vitrimer Nanocomposites, Tyler Eakin

Williams Honors College, Honors Research Projects

This project aims to show the how polymer grafted nanoparticles behave in a vitrimer composite network. The effect of varying the network parameters such as the grafting density, the volume fraction of nanoparticles, and the ratio of polymer chain length : graft chain length will be studied. The assemblies formed by the polymer grafted nanoparticles will be visually analyzed and assigned one of 5 possible conformations. A phase diagram of grafting density vs network chain length / graft length will be constructed. The phase diagram will provide valuable insight into how nanoparticle self-assembly can be manipulated through changing network parameters

Effects Of Hofmeister Ions On Lower Critical Solution Temperatures Of Poly(N-Isopropylacrylamide) And Poly(Vinyl Methyl Ether), Joseph Joaquin

Williams Honors College, Honors Research Projects

The goal of this study is to compare how four different Hofmeister anions (Cl-, SCN-, F-, and I-) affect the Lower Critical Solution temperature (LCST) on two thermo-responsive polymers: poly(N-isopropylacrylamide) (pNIPAAM) and poly(vinyl methyl ether) (PVME). pNIPAAm is commonly used in the environmental applications such as monitoring, oil-water separations, or antifouling materials, and in medical industry from drug delivery to tissue engineering. When pNIPAAM or PVME reaches a temperature above their LCST, they become hydrophobic, and the polymer chains coiled, leading to their aqueous solutions turn opaque. PVME exhibits a similar LCST as that of pNIPAAM, so it can be …