Chemical Engineering Commons^™

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 …

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. …