Chemical Engineering Commons^™

Solvent-Free Manufacturing Of Lithium-Ion Battery Electrodes Via Cold Plasma, Zhiming Liang, Tianyi Li, Holden Chi, Joseph Ziegelbauer, Kai Sun, Ming Wang, Wei Zhang, Tuo Liu, Yang-Tse Cheng, Zonghai Chen, Xiaohong Gayden, Chunmei Ban

Chemical and Materials Engineering Faculty Publications

Slurry casting has been used to fabricate lithium-ion battery electrodes for decades, which involves toxic and expensive organic solvents followed by high-cost vacuum drying and electrode calendering. This work presents a new manufacturing method using a nonthermal plasma to create inter- particle binding without using any polymeric binding materials, enabling solvent-free manufacturing electrodes with any electrochemistry of choice. The cold-plasma-coating technique enables fabricating electrodes with thickness (>200 lm), high mass loading (>30 mg cm^-2), high peel strength, and the ability to print lithium-ion batteries in an arbitrary geometry. This crosscutting, chemistry agnostic, platform technology would increase energy density, …

Type-B Energetic Processes: Introduction And Invitation To Special Issue Of Energies, James Weifu Lee, Daniel P. Sheehan

Chemistry & Biochemistry Faculty Publications

[First paragraph] Currently, there is substantial scientific evidence for the existence of Type-B energetic processes on Earth, such as the naturally occurring transmembrane-electrostatically localized protons (TELP) thermotrophic properties in life [1]. A number of groundbreaking human-made Type-B energetic processes, including (but not limited to) “asymmetric function-gated isothermal electricity production” [2], “epicatalysis generating a temperature difference between catalysis-asymmetric filaments” [3], “artificially made asymmetric membrane concentration cell” [4,5], “Fu’s experiment on heat–electric conversion using surface electron emission under a static magnetic field” [6], and the “dynamic processes in superconductors indicating Type-B energetic process” [7,8,9] have been invented and/or experimentally demonstrated. The innovative …

Synthetic Approaches Of Carbohydrate Based Self-Assembling Systems, Guijun Wang, Anji Chen, Pramod Aryal, Jonathan Bietsch

Chemistry & Biochemistry Faculty Publications

Carbohydrate-based self-assembling systems are essential for the formation of advanced biocompatible materials via a bottom-up approach. The self-assembling of sugar-based small molecules has applications encompassing many research fields and has been studied extensively. In this focused review, we will discuss the synthetic approaches for carbohydrate-based self-assembling (SA) systems, the mechanisms of the assembly, as well as the main properties and applications. This review will mainly cover recent publications in the last four years from January 2020 to December 2023. We will essentially focus on small molecule self-assembly, excluding polymer-based systems, which include various derivatives of monosaccharides, disaccharides, and oligosaccharides. Glycolipids, …

Role Of Nitrogenous Functional Group Identity In Accelerating 1,2,3- Trichloropropane Degradation By Pyrogenic Carbonaceous Matter (Pcm) And Sulfide Using Pcm-Like Polymers, Han Cao, Jingdong Mao, Paul G. Tratnyek, Wenqing Xu

Chemistry & Biochemistry Faculty Publications

Groundwater contamination by 1,2,3-trichloropropane (TCP) poses a unique challenge due to its human toxicity and recalcitrance to degradation. Previous work suggests that nitrogenous functional groups of pyrogenic carbonaceous matter (PCM), such as biochar, are important in accelerating contaminant dechlorination by sulfide. However, the reaction mechanism is unclear due, in part, to PCM's structural complexity. Herein, PCM-like polymers (PLPs) with controlled placement of nitrogenous functional groups [i.e., quaternary ammonium (QA), pyridine, and pyridinium cations (py⁺)] were employed as model systems to investigate PCM-enhanced TCP degradation by sulfide. Our results suggest that both PLP-QA and PLP-py⁺ were highly effective …

Type-B Energetic Processes: Their Identification And Implications, James Weifu Lee

Chemistry & Biochemistry Faculty Publications

We have now identified two thermodynamically distinct types (A and B) of energetic processes naturally occurring on Earth. Type-A energy processes, such as classical heat engines, apparently well follow the second law of thermodynamics; Type-B energy processes, such as the newly discovered thermotrophic function that isothermally utilizes environmental heat energy to perform useful work in driving ATP synthesis, follow the first law of thermodynamics (conservation of mass and energy) but do not have to be constrained by the second law, owing to their special asymmetric functions. Several Type-B energy processes such as asymmetric function-gated isothermal electricity production and epicatalysis have …

Valorization Of Bourbon Distilling Waste Using Thermal Conversion Processes For Nutrient-Rich Food Products, Tosin Olayemi Olanrewaju

Theses and Dissertations--Biosystems and Agricultural Engineering

The Commonwealth of Kentucky accounts for over 95% of global bourbon production. A primary byproduct of bourbon production is stillage, which has a very high moisture content (91–94%) and high biochemical oxygen demand, making it challenging to manage. The recent expansion of the bourbon industry has heightened environmental concerns regarding the best methods to handle this byproduct. Dewatering and drying of stillage produce distillers' spent grains (DSG-B), which are rich in dietary fiber and protein and could serve as an excellent source of functional fiber in human nutrition.

This study examined the approach for dewatering, drying, inclusion of DSG-B as …

Calculation Of Elastic Constants Of Bulk Metallic Glasses From Indentation Tests, Zhitong Xu, Ming Liu, Fuqian Yang

Chemical and Materials Engineering Faculty Publications

One of the challenges in the applications of instrumented indentation is to simultaneously measure elastic modulus and Poisson’s ratio of homogeneous, isotropic materials. This work proposes empirical equations for simultaneous calculation of elastic modulus and Poisson’s ratio of bulk metallic glasses (BMGs) from the ratio of the short diagonal length to the long diagonal length and the area of the Knoop imprint. The parameters pre- sented in the empirical equations are determined first by Knoop microhardness tests of 24 BMGs, whose elastic moduli and Poisson’s ratios are measured by resonant ultrasound spectroscopy. These empirical equations are further validated by the …

“Zero” Porosity High Loading Nmc622 Positive Electrodes For Li-Ion Batteries, Haidar Y. Alolaywi, Kubra Uzun, Yang-Tse Cheng

Chemical and Materials Engineering Faculty Publications

LiNi0.6 Mn0.2Co0.2 O 2 (NMC622) is a widely used positive electrode material for lithium-ion batteries, including electric vehicles. In this work, we investigated the effects of porosity, ranging from “zero” to the typical 35%, on the electrochemical behavior of high- loading NMC622 electrodes. Although it is well known that the energy density of the electrode increases with increasing areal capacity and decreasing porosity, NMC-positive electrodes with exceedingly low porosity (e.g., near zero) and high loading (e.g., 4 mAh cm−2 ) have not been investigated. Here, we report an intriguing observation that the “zero porosity” NMC electrode can have higher capacity …

Oxygen Fugacity Of Global Ocean Island Basalts, Lori N. Willhite, Ricardo Arevalo, Philip Piccoli, John C. Lassiter, Devin Rand, Matthew G. Jackson, James M.D. Day, Robert W. Nicklas, Marek Locmelis, Thomas J. Ireland, Igor S. Puchtel

Geosciences and Geological and Petroleum Engineering Faculty Research & Creative Works

Mantle plumes contain heterogenous chemical components and sample variable depths of the mantle, enabling glimpses into the compositional structure of Earth's interior. In this study, we evaluated ocean island basalts (OIB) from nine plume locations to provide a global and systematic assessment of the relationship between fO₂ and He-Sr-Nd-Pb-W-Os isotopic compositions. Ocean island basalts from the Pacific (Austral Islands, Hawaii, Mangaia, Samoa, Pitcairn), Atlantic (Azores, Canary Islands, St. Helena), and Indian Oceans (La Réunion) reveal that fO₂ in OIB is heterogeneous both within and among hotspots. Taken together with previous studies, global OIB have elevated and heterogenous fO …

Borate-Based Bioactive Glasses Properties: Clinical And Biomedical Applications, Sarah Fakher, David J. Westenberg

Biological Sciences Faculty Research & Creative Works

Borate bioactive glasses (BBGs) constitute the recently produced bioactive glasses (BGs) in the domain of bioactive materials, offering enhanced functionalities over conventional silicate and phosphate BGs. This advancement is primarily characterized by BBGs' rapid yet controllable degradation rates, superior bioactivity, and the ability to swiftly form a hydroxyapatite layer (HAP) upon interaction with physiological fluids. A distinguishing feature of BBGs lies in their customizability; doping with therapeutic metal ions tailors their bioactivity towards specific physiological responses, including promoting angiogenesis, antibacterial activity, and osteogenesis. This versatility of BBGs' applications extends to bone regeneration, wound healing, drug delivery systems, and potentially nerve …

Development Of Synthetically Accessible Glycolated Polythiophenes For High-Performance Organic Electrochemical Transistors, Bowen Ding, Vianna N. Le, Hang Yu, Guanchen Wu, Adam V. Marsh, Edgar Gutiérrez-Fernández, Nicolás Ramos, Martina Rimmele, Jaime Martín, Jenny Nelson, Alexandra F. Paterson, Martin Heeney

Chemical and Materials Engineering Faculty Publications

Four glycolated polythiophene-based organic mixed ionic-electronic conductors (OMIECs), PE2gTT, PE2gT, PT2gTT, and PT2gT are prepared by atom-efficient direct arylation polymerization, avoiding the need for toxic organometallic pre- cursors. PE2gT, PT2gTT, and PT2gT are operable in p-type accumulation mode organic electrochemical transistors (OECTs), with PT2gT displaying the best device performance with a μC* product figure-of-merit of 290 F cm−1 V−1 s−1 . A record volumetric capacitance among p-type glycolated polythiophene OMIECs of 313 F cm−3 is observed for PE2gT, ascribed to the high proportion- ality of polar components in its materials design. The good OECT performance of PE2gT with μC* = …

The Integrated Behavioral Model Of Mental Health Help Seeking (Ibm-Hs): A Health Services Utilization Theory Of Planned Behavior For Accessing Care, Joseph H. Hammer, David L. Vogel, Patrick R. Grzanka, Nayeon Kim, Brian T. Keum, Claire Adams, Sarah A. Wilson

Chemical and Materials Engineering Faculty Publications

This article introduces the integrated behavioral model of mental health help seeking (IBM-HS), a theoretical model for understanding the constructs (e.g., systemic, predisposing, and enabling factors; mental health literacy; illness perceptions; perceived need; stigma; shame; perceived benefits, motivation) that influence people’s decision making around seeking professional mental health care and their ultimate access to formal treatment. The IBM-HS is a help-seeking-specific adaptation of the empirically supported integrated behavioral model and integrative model, which are themselves evolutions of the theory of planned behavior and theory of reasoned action. The IBM-HS posits that help-seeking determinants (e.g., structural forces; cultural influences; past help-seeking …

Developing Smart Textiles Encapsulated With Single Walled Carbon Nanotubes For Biomedical Applications, Devleena Chowdhury

Open Access Master's Theses

This thesis investigates the creation of core-shell nanofibers for enhanced wound healing applications using a variety of polymer combinations. Chronic wounds are a major worry in the biomedical sector, and researchers are looking at new materials to help the healing process. The PVDF/PVA core-shell structure with single-walled carbon nanotubes (SWCNTs) was chosen due to its balanced mechanical strength, high biocompatibility, and DNA-SWCNT complex stability. PVDF is a preferred shell material due to its biocompatibility and water solubility, making it excellent for wound dressings, implanted scaffolds, and sensors that monitor healing.

The study focuses on improving the electrospinning method to produce …

Enhancing Reservoir Modeling And Simulation Through Artificial Intelligence And Machine Learning: A Smart Proxy Modeling Approach, Andrew Timothy Jenkins

Graduate Theses, Dissertations, and Problem Reports (ETD)

The application of numerical reservoir simulation (NRS) has been a common approach within the oil and gas industry for decades, providing a means to model and forecast dynamic subsurface interactions, as a basis for reservoir management and development decisions. These techniques have expanded to application within carbon capture utilization and storage (CCUS) projects as domestic and global policy shift towards reducing carbon emissions while maintaining the energy needs of our modern society. NRS techniques have become a core process for permitting approval in Class VI (large-scale geological sequestration) wells due to the fundamental similarity of these types of subsurface processes. …

Development Of A Deep Neural Network And Empirical Model For Predicting Local Gas Holdup Profiles In Bubble Columns, Sebastián Uribe, Ahmed Alalou, Mario E. Cordero, Muthanna H. Al-Dahhan

Chemical and Biochemical Engineering Faculty Research & Creative Works

Estimating local gas holdup profiles in bubble columns is key for their performance evaluation and optimization, as well as for design and scale-up tasks. Up to the current day, there are important limitations in the accuracy and range of applicability of the available models in literature. Two alternatives for the prediction of such local fields can be found in the application of empirical models and the development of deep neural networks (DNN). The main drawback preventing the application of these techniques in previous years was the availability of a large enough databank of local gas holdup experimental measurements. Advances over …

Pharmacology Of Boldine: Summary Of The Field And Update On Recent Advances, Juan C. Sáez, Justin C. Burrell, Catherine M. Cahill, D. Kacy Cullen, Lakshmi A. Devi, Ryan J. Gilbert, Zachary A. Graham, Vadim J. Gurvich, Leif A. Havton, Ravi Iyengar, Rajesh Khanna, Edmund F. Palermo, Mustafa Siddiq, Carlos A. Toro, Walter Vasquez, Wei Zhao, Christopher P. Cardozo

Chemical and Biochemical Engineering Faculty Research & Creative Works

Over the past decade, boldine, a naturally occurring alkaloid found in several plant species including the Chilean Boldo tree, has garnered attention for its efficacy in rodent models of human disease. Some of the properties that have been attributed to boldine include antioxidant activities, neuroprotective and analgesic actions, hepatoprotective effects, anti-inflammatory actions, cardioprotective effects and anticancer potential. Compelling data now indicates that boldine blocks connexin (Cx) hemichannels (HCs) and that many if not all of its effects in rodent models of injury and disease are due to CxHC blockade. Here we provide an overview of boldine's pharmacological properties, including its …

Monitoring Aerosols With Time Resolution With A Rotating Drum Sampler Using La-Icpms For Elemental Analysis, John V. Piorkowski

Honors Theses

This thesis presents a comprehensive study on the characterization and application of a rotating drum sampler for air quality monitoring, with a focus on aerosol composition analysis using Laser Ablation Inductively Coupled Plasma Mass Spectrometry (LA-ICPMS). The study aimed to determine (1) the cut-off points of the drum sampler to better understand its performance characteristics and (2) to investigate indoor air quality, specifically within makerspaces on Bucknell University’s campus. The research highlighted the novelty of applying LA-ICPMS for time-resolved aerosol composition analysis, demonstrating the potential for low-cost pollution concentration studies. The characterization experiments did not yield expected results, but the …

Experimental Evaluation Of Mesh Size In Physically Crosslinked Polymer Gels Using Dynamic Light Scattering, Duncan M. Hill

Honors Theses

Block copolymer gels are under consideration as drug delivery patches. Controlling and modeling the transport inside the gel is an important contribution to the successful delivery of pharmaceuticals. The diffusive transport of a solute – such as a therapeutic compound – within the gel can be described by the mesh size of the gel, which is defined as the distance between polymer chains. Existing experimental evaluations of mesh size do not work for block copolymer gels due to differences in the fundamental gel structure. As such, an experimental method of measuring mesh size of block copolymer gels using dynamic light …

Ltspice Modeling For Gan-Git Hemt Including Cryogenic Temperature, Md Maksudul Hossain, Yuqi Wei, H. Alan Mantooth

Electrical Engineering Faculty Publications and Presentations

Highly efficient electrically driven avionics have led to a renewed interest in cryogenic propulsion systems with the goal of reducing carbon emission footprint. Although cryogenic converters promise better efficiency and improved power density, the successful design is incumbent upon the appropriate switching device selection and simulation-based analyses prior to initial prototyping. In this work, a datasheet-driven compact model for a gallium nitride (GaN) Gate Injection Transistor (GIT) has been proposed and implemented in LTspice, a versatile, high performance, and free circuit simulator in order to investigate the merit of the chosen device in a power electronic system.

Electron-Induced Chemical Transformations In Polymer Films: Understanding The Role Of Electrons In Euv Lithography, Maximillian Mueller

Master's Theses

The next generation of computer processors, memory, and nano-scale technologies all rely on our ability to create patterns at the nanometer scale reliably. Extreme ultraviolet (EUV) lithography can create sub-10 nm features by exposing photoresist materials, typically polymers or organic networks, to 13.5 nm, 92 eV light. At these energies, absorption of photons by the photoresist leads to the emission of a primary electron around 80 eV which inelastically scatters throughout the material, initiating chemistry and creating secondary electrons. The resulting cascade of electrons and chemical reactions remains poorly understood for most photoresist materials systems. This work aims to characterize …

Preliminary Remote Identification Of Unstable Zone On Large-Scale Waste Dump At Mae Moh Mine Using Insar Technique, Chitra Buth

Chulalongkorn University Theses and Dissertations (Chula ETD)

Mae Moh Mine is one of the largest lignite mine in Southeast Asia, operated by the Electricity Generating Authority of Thailand (EGAT). It is located in the northern part of Thailand, in Mae Moh district, Lampang province. In March 2018, a significant sliding incidence occurred at a waste dump site with sliding area of 1.56 km2 approximately, highlighting the pressing issue of instability within this large-scale waste dump area. This study aims to address this concern in the future and demonstrate an innovative method for investigating the failure by employing Interferometric Synthetic Aperture Radar (InSAR) technology. The methodology involves the …

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 …

Development Of Dynamic Modeling And Estimation Techniques For Condition Monitoring Of Advanced Energy Systems, Vivek Saini

Graduate Theses, Dissertations, and Problem Reports (ETD)

The integration of renewable energy sources into the electric grid requires the current fleet of fossil-fired power plants to operate more flexibly, leading to frequent load changes that stress critical high temperature boiler components that were primarily designed for base load operations. The more complex operating scenarios can modify component damage, compromising reliability and increasing operational costs. To ensure efficient plant operations, adaptive condition monitoring tools generalizable for different plant configurations are essential for recognizing the impacts of load-following, improving safety, and preventing outages. This dissertation work is primarily focused on the development of advanced modeling and estimation techniques frameworks …

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

Graduate Theses, Dissertations, and Problem Reports (ETD)

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

Characterization And Evaluation Of Various Biochar Types As Green Adsorbents For Rare Earth Element Recovery From Aqueous Solutions, Oluwaseun Victor Famobuwa

Graduate Theses, Dissertations, and Problem Reports (ETD)

Rare earth elements (REEs) are members of the lanthanide family (atomic number 57 – 71). They are significantly important to the global economy due to their applications in renewable energy, defense, and medical industries. REEs are primarily derived from bastnaesite and monazite but may also be present in xenotime, cerite, alanite, and many other types of mineralization in lesser amounts. Due to the increasing demand for REEs and their criticality in the supply chain, the need to explore secondary sources of REEs has gained tremendous importance.

Secondary sources of REEs include but are not limited to acid mine drainage (AMD), …

Enhancing Pipeline Simulations Through Artificial Intelligence And Machine Learning: A Smart Proxy Modelling Approach, Afeez Shittu

Graduate Theses, Dissertations, and Problem Reports (ETD)

ABSTRACT

Enhancing pipeline simulations is essential for improving operational efficiencies and effectively managing risks in the oil and gas industry. Traditional pipeline simulators, relying heavily on mathematical modeling assumptions, often face limitations due to their high energy and computational demands. This thesis addresses these challenges by introducing an innovative approach that integrates artificial intelligence (AI) and machine learning (ML) through a smart proxy model, offering a more efficient, cost-effective, and flexible alternative to conventional full-physics models used in pipeline simulation software.

The primary aim of this research is to develop and implement a smart proxy model capable of accurately predicting …

Optimized Pi Compound Mixing Strategy, Cecilia Mainzer

Williams Honors College, Honors Research Projects

The project focuses on developing an optimal mixing strategy for a polyisoprene (PI) compound at the Goodyear Tire & Rubber Company. The aim is to optimize performance objectives of the compound. The project involved research, design iterations, mixing analyses, and performance evaluations, while adhering to engineering codes and standards.

The design process includes analyzing differences between two mixing technologies, intermesh and tangential rotors; altering mixing conditions; and exploring additional polymer systems and coupling technology of the compound.

Validation data confirms that the mixing technology and compound recipe meets all success metrics, including stiffness, hysteresis, adhesion, cure rate, and tear performance …

Alloy Corrosion Resistance Project, Noah Gourley

Williams Honors College, Honors Research Projects

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

Effects Of Energy Drink Additives On Crayfish Metabolism, Katherine Paltz

Williams Honors College, Honors Research Projects

The effects of caffeine and additives commonly found in energy drinks were tested on crayfish to record changes, if any, in their metabolism. Three experimental groups were studied: 1. Caffeine; 2. Caffeine + Glucuronolactone; 3.) Caffeine + Glucuronolactone + Taurine. Caffeine is a common stimulant used to improve mental awareness, headaches, memory, and athletic performance. Glucuronolactone is connected with cardiovascular issues and aggressive behavior. Taurine is said to improve mood and focus. The experiment was performed at two different caffeine levels: 600mg and 1200mg for an initial 1 hour of exposure and 10 hours after exposure used as a pseudo-baseline. …