Chemical Engineering Commons^™

Membrane Reactor Modeling And Optimization For Hydrogen Production, Ayooluwa Tomiwa Akintola

Graduate Theses, Dissertations, and Problem Reports (ETD)

There has been an ongoing trend toward cleaner fuels for more environmentally benign forms of energy generation. Recently, hydrogen has been identified as a clean fuel for energy generation. However, the most established, efficient, and widely utilized technique for producing hydrogen remains the steam methane reforming (SMR) in the presence of catalyst. Unlike other fossil fuels, utilizing methane from natural gas in an SMR process to produce hydrogen emits less, but yet a notable sum of carbon dioxide. Furthermore, the endothermic nature of SMR reactions imply that there is a high energy requirement to obtain a substantial amount of hydrogen …

Engineering Nanomaterials From Phase-Change Biological Materials Reacting With Carbon Dioxide, Qingyang Li

Graduate Theses, Dissertations, and Problem Reports (ETD)

The current global situation concerning CO2 emissions is increasingly alarming, with rising concentrations of CO2 significantly worsening climate change and global warming. Atmospheric CO2 levels are now at their highest in millions of years, driving a host of catastrophic effects, including but not limited to extreme weather events, rising sea levels, ocean acidification, disrupted ecosystems, deteriorating air quality, respiratory health issues, heat-related illnesses, threats to food and water security, and escalating social and geopolitical tensions. To keep global warming to no more than 1.5°C higher than that of pre-industry – as called for in the Paris Agreement – emissions need …

Expanding The Vibrating Sharp-Edge Spray Ionization Toolkit For Oligonucleotide Characterization, Sultan Mahmud

Graduate Theses, Dissertations, and Problem Reports (ETD)

A gentle or soft Ionization process is a critical component in native mass spectrometry (MS) to lift the biomolecules from the bulk solution into the gas phase environment of the mass spectrometer preserving their shape, topology and non-covalent interactions. Electrospray ionization (ESI) facilitates structural preservation of proteins, nucleic acids and their complexes and as a result it has been extensively used in native MS. However, in negative ion mode, ESI is somewhat limited in sensitivity due to corona discharge effect resulting from the requirement of a high amount of voltage. This often disrupts the ESI process and may not preserve …

Effects Of Chain Length, Saturation, And Bases On Saponification, Sarah Fenik

Williams Honors College, Honors Research Projects

This project will analyze the effects of chain length and saturation of fatty acids on saponification processes, as well as the effects of the base used in the reaction. Stearic acid, lauric acid, and oleic acid will be used for the fatty acid comparisons, and sodium hydroxide and potassium hydroxide will be used for the base comparisons. Stearic acid is considered a long chain fatty acid, while lauric acid is considered a short chain fatty acid. Oleic acid is a monounsaturated fatty acid. Five soap products are be made: sodium stearate, sodium laurate, sodium oleate, potassium stearate, and potassium oleate. …

Anti-Icing Properties Of 3d-Printed Superhydrophobic Surfaces, Nathan Kling

Williams Honors College, Honors Research Projects

This project aims to investigate how textured microscopic surfaces can reduce ice adhesion, utilizing 3D-printed resin materials. By varying the size and shape of these surface imperfections, the research seeks to identify configurations that minimize ice formation and facilitate easier ice removal. The trapped air between the imperfections is expected to hinder water droplet adhesion, promoting detachment through gravity or motion. The study’s applications could extend to preventing icing on power lines, roads, and aircraft. Methodologically, the project will build on prior research, applying water to textured surfaces under controlled temperature conditions to assess ice formation and removal efficiency. Key …

Corrosion Of Pipes In Soil Under Cathodic Protection, Ashley Chow

Williams Honors College, Honors Research Projects

This research project focuses on understanding how various soil properties affect the corrosion of buried pipelines that are protected by cathodic protection (CP) systems. Specifically, the study seeks to evaluate key soil characteristics, including resistivity, moisture content, and pH levels to determine their influence on the efficiency of CP systems in mitigating corrosion. Through controlled laboratory experiments, carbon steel specimens were exposed to a range of simulated soil conditions to mimic real-world environments. Corrosion rates were assessed using advanced electrochemical techniques, such as linear polarization resistance (LPR) and Tafel slopes, along with traditional mass loss methods. The primary objectives of …

Prediction Of Glass Transition Temperature Of Polymers Using Structure-Based Models, Nicholas Wolfe

Williams Honors College, Honors Research Projects

The focus for this study is prediction of glass transition temperatures of polymers using machine learning models. The preprocessing of the data included the generation of descriptors, the scaling of the data, the principal component analysis for dimensionality reduction, and the clustering of the data. Three methods of property predictions were utilized including Linear Regression, Random Forest, and a Feedforward Neural Network. The dataset consisted of over 7000 polymers each with their respective glass transition temperatures. This study found that the Random Forest model returned the best results followed by the Feedforward Neural Network then the Linear Regression model. Each …

Qualitative Analysis Of Surface Modification On Wiffleball Aerodynamics, Cole Lanni

Williams Honors College, Honors Research Projects

This project investigated how surface modifications to a Wiffleball affect its aerodynamic behavior, particularly its vertical and horizontal movement when thrown. The study tested the hypothesis that altering surface texture through cutting or sanding would influence airflow and pressure differentials, thereby changing the ball's movement. Six ball conditions: including unmodified, sanded, and various cut patterns were tested using a pitching machine in a controlled indoor environment. Each variation was pitched ten times, and movement was analyzed through measurements of contact points on posterboards and performing statistical testing, specifically ANOVA with Post Hoc analysis. Results indicated that surface modifications significantly increased …

Modeling The Thermodynamics Of Butadiene And Carbon Dioxide Coupling Reactions, Alexis Sarantos

Williams Honors College, Honors Research Projects

This project will analyze the synthesis reaction of ethenylated 𝛿-valerolactone (EVL), specifically to determine certain thermodynamic properties of EVL and its coproducts. The thermodynamic properties of the reaction products can then be utilized to make the development of a large-scale process simpler and safer. The properties that will be determined are the heats of formations, heat capacities, and changes in enthalpy caused by each product during the reaction, and these will be used to determine whether the energy produced by the reaction is sufficient to maintain formation of the desired product. Additionally, a process model of heat flows and energy …

Effects Of Soil Properties On Cp Performance, Cecilia Segretario

Williams Honors College, Honors Research Projects

This research aims to evaluate the affect of various soil properties on the effectiveness of cathodic protection (CP) in preventing underground pipeline corrosion. Metal coupons of common pipeline materials with applied CP will be mounted in several separate controlled soil environments to manipulate real world underground corrosion scenarios. Each soil environment will have different physical properties by mixing the soil with a prepared chemical solution. The physical properties to be evaluated include pH, resistivity, and moisture content. At the end of a corrosion duration, weight loss method will be used to evaluate the corrosion rate over that period. Additionally, the …

Comsol Simulation Of Pipeline Corrosion With Cathodic Protection, Ethan Scalzo

Williams Honors College, Honors Research Projects

Cathodic protection (CP) is a widely used technique to mitigate corrosion in buried steel pipelines. This study uses COMSOL Multiphysics to model and analyze the performance of both sacrificial anode and impressed current systems in a simulated 3D environment. The model solves for pipeline potential, current density, and corrosion rate within a surrounding soil domain to assess protection coverage across the pipeline. Simulations were conducted to evaluate the influence of electrode and electrolyte properties on CP effectiveness. The study demonstrates that COMSOL Multiphysics is an effective tool for modeling CP systems, offering insights that align with established industry practices. While …

Transport And Plugging Behavior Of Co2-Resistant Preformed Particle Gels In High Conductive Channels For Conformance Control, Adel Alotibi

Doctoral Dissertations

"Improving oil recovery is essential with rising global oil demand and declining production in mature fields. CO₂ flooding has been widely applied as a major Enhanced Oil Recovery (EOR) method due to its effectiveness in boosting oil recovery while enabling safe carbon storage in the subsurface. However, in fractured and highly heterogeneous reservoirs, CO₂ often flows through paths of least resistance, leading to early breakthrough or quick excessive CO₂ production and leaving substantial oil in unswept zones or areas. Traditional in-situ polymer gels have been applied to control CO₂ flooding conformance, their performance has been varied, …

Modeling Ion-Specific Effects In Polyelectrolyte Brushes: A Modified Poisson-Nernst-Planck Model, William J. Ceely, Marina Chugunova, Ali Nadim, James D. Sterling

Business and Information Technology Faculty Research & Creative Works

Polyelectrolyte brushes consist of a set of charged linear macromolecules, each tethered at one end to a surface. An example is the glycocalyx which refers to hair-like negatively charged sugar molecules that coat the outside membrane of all cells. We consider the transport and equilibrium distribution of ions and the resulting electrical potential when such a brush is immersed in a salt buffer containing monovalent cations (sodium and/or potassium). The Gouy-Chapman model for ion screening at a charged surface captures the effects of the Coulombic force that drives ion electrophoresis and diffusion but neglects non-Coulombic forces and ion pairing. By …

The Antibiofilm Efficacy Of Copper And Zinc-Enhanced Borate Bioactive Glasses On Polymicrobial Biofilms, Sarah Fakher, David J. Westenberg

Biological Sciences Faculty Research & Creative Works

Healthcare-acquired infections (HAIs) are a significant global challenge driven by biofilm-forming pathogens. Polymicrobial biofilms, involving interactions between multiple microbial species, exacerbate treatment difficulties due to their enhanced resistance to antimicrobial therapies. Borate bioactive glasses (BBGs) are an emerging class of biomaterials that have attracted significant interest in infection control. The incorporation of copper and zinc into the BBG matrix can effectively disrupt biofilm formation and bacterial colonization. This study investigates the antibiofilm efficacy of copper and zinc-doped BBGs against polymicrobial biofilms formed by S. epidermidis, E. coli, and P. aeruginosa. Using static and dynamic biofilm models, BBGs were applied through …

Synthesis And Characterization Of Free Radical Scavenging Dendrimer Nanogels Via Cross-Linking Reaction-Enabled Flash Nanoprecipitation, Lin Qi, Da Huang, Huari Kou, Anna Chernatynskaya, Nuran Ercal, Hu Yang

Chemistry Faculty Research & Creative Works

This work reports the development and evaluation of dendrimer-based nanogels based on Poly amidoamine (PAMAM) dendrimer generation 5, engineered to act as a carrier with reactive oxygen species (ROS)-scavenging capabilities. We developed a cross-linking reaction-enabled flash nanoprecipitation method in which the cross-linking reaction occurs during the flash nanoprecipitation process to form a cross-linked nanostructure. Using this approach, an N-hydroxy succinimide (NHS)-functionalized ROS-responsive thioketal cross-linker (TK-NHS) was synthesized and utilized to cross-link DAB-core PAMAM dendrimer G5, resulting in the formation of G5-TK nanogels. The resulting nanogels were characterized using dynamic light scattering and transmission electron microscopy, and their cytocompatibility, irritancy, cellular …

Graphite Particles Modified By Zno Atomic Layer Deposition For Li-Ion Battery Anodes, Ahmad Helaley, Han Yu, Xinhua Liang

Chemical and Biochemical Engineering Faculty Research & Creative Works

Graphite, with a modest specific capacity of 372 mA h g−1, is a stable material for lithium-ion battery anodes. However, its capacity is inadequate to meet the growing power demands because the formation of an irregular solid electrolyte interphase (SEI) can result in unstable performance. In this research, we used a few cycles of atomic layer deposition (ALD) to deposit ZnO on graphite particles as an anode with improved electrochemical stability. Transmission electron microscopy revealed that ZnO was in the form of nanoparticles due to the inert surface properties of graphite and only a few cycles of ALD. Electrochemical characterization …

Experimental Investigation Of Heat Transfer Behavior In Spouted Bed Reactors Under Different Operating Conditions, Hasan A. Abdulwahab, Abbas J. Sultan, Amer A. Abdulrahman, Hasan Sh Majdi, Haydar A.S. Aljaafari, Zahraa W. Hasan, Laith S. Sabri, Bashar J. Kadhim, Jamal M. Ali, Muthanna H. Al-Dahhan

Chemical and Biochemical Engineering Faculty Research & Creative Works

Abstract: Spouted bed reactors (SBRs) are highly valued for their effectiveness in chemical and biochemical processes due to their mixing and heat transfer capabilities. Understanding the heat transfer mechanisms in these reactors is necessary. This research delves into the heat transfer behavior of SBRs, which plays a role in enhancing their performance under operational conditions. The study conducted experiments to measure the heat transfer coefficient (HTC) at varying gas velocities (ranging from 0.32 to 0.74 m/s) at radial positions (r/R = 0, ±0.28, ±0.56, and ±0.85) and axial levels (H/D = 0.8, 2.1, and 3.5) within the spouted bed (SB) …

Incorporating Insulin Into Alginate-Chitosan 3d-Printed Scaffolds: A Comprehensive Study On Structure, Mechanics, And Biocompatibility For Cartilage Tissue Engineering, Afsaneh Jahani, Mohammad Sagdegh Nourbakhsh, Ali Moradi, Marzieh Mohammadi, Lobat Tayebi

Electrical & Computer Engineering Faculty Publications

Osteoarthritis is a leading cause of disability worldwide, challenging current treatments to limited cartilage self-healing capacity. Cartilage tissue engineering (CTE) integrates cells, scaffolds, and signaling molecules, with Insulin being utilized as a differentiation biomolecule due to cost-effectiveness, dose-dependent influence on chondrogenesis, suitable biological activity, and ability to activate relevant receptors. Yet, administering differentiation biomolecules through conventional scaffolds poses a persistent challenge. Alginate (Alg) is commonly employed in CTE for its biocompatibility, though it lacks sufficient mechanical properties. Chitosan (Cs), while enhancing scaffold mechanical properties, but does not independently provide optimal support for chondrogenesis. While Alg-Cs scaffolds have garnered attention, challenges …

Pla Polymer Binder In Core Production - Influence On Final Casting Dimensions, Artur Soroczyński, Krzysztof Rechowicz

Virginia Digital Maritime Center (VDMC) Faculty Publications

The foundry industry is seeking an ecological alternative to synthetic molding resins. This study evaluates the technological properties of core sands bonded with biodegradable polylactide (PLA). Cores prepared on a 2% quartz sand matrix were subjected to casting processes using two alloys with extremely different pouring temperatures: gray cast iron (approx. 1200 °C) and AK11 silumin (approx. 710 °C). The research methodology included macroscopic assessment, dimensional analysis using 3D scanning (GOM Inspect), and qualitative knock-out assessment supported by numerical temperature field simulation. The results showed that the high crystallization temperature of cast iron leads to complete thermal degradation of the …

Numerical Modelling And Co-Optimization Of Gasoline Fuels For Gasoline Compression Ignition Using Multi Component Approach, Ashwin Karthik Purushothaman

Dissertations, Master's Theses and Master's Reports

Future mobility is expected to rely on a broad spectrum of powertrain technologies, including battery electric vehicles (BEVs), hybrid electric vehicles (HEVs), fuel cell electric vehicles (FCEVs) and traditional internal combustion engine (ICE) vehicles. Despite the shift toward electrification, internal combustion engines are projected to remain a key component of future powertrains, either as the primary power source or as range extenders to generate electricity in hybrid systems. As such, significant research efforts continue to focus on enhancing the efficiency and reducing the emissions of ICEs to meet increasingly stringent regulatory and environmental targets. Gasoline compression ignition (GCI) has been …

Cfd Analysis Of Hydrodynamic Cavitation Through An Orifice: Influence Of Different Inlet Pressures And Number Of Orifice Holes, Lemthong Chanphavong, Vongsavanh Chanthaboune, Keophousone Phonhalath

ASEAN Journal on Science and Technology for Development

Hydrodynamic cavitation (HC) is considered an energy-efficient process with high potential for utilization in many chemical processes. This study presents a computational fluid dynamics (CFD) analysis of cavitating flow through an orifice with a constant flow area. The Reynolds-Averaged Navier-Stokes (RANS) equations, coupled with turbulence and cavitation models, are employed to capture the complex flow behaviors. The effects of inlet pressures and number of orifice-holes on cavitation behavior are investigated. Result of the numerical simulation is validated with the existing experimental data from the literature. The CFD study revealed that cavitation initiates just behind the inlet edge of the orifice …

Development, Synthesis And Characterization Of Advanced Low- Cobalt And High-Nickel Cathode Materials For Lithium-Ion Batteries, Arjun Patel

Theses and Dissertations

This dissertation focuses on the improvement of structural and electrochemical stability of active materials for lithium-ion batteries. It explores the modification strategies to mitigate the issues related to Ni-rich cathode materials, along with the continuous production of cathode precursors using a slug flow reactor to improve the quality of the product.

The First part of the dissertation examines the effect of substitution of cobalt with aluminum and iron on the electrochemical stability of Ni-rich lithium nickel cobalt manganese oxide (NCM) materials. This study investigates how Al and Fe doping work and how they impact the performance and stability of these …

Integrating Medical Plastic Waste Pyrolysis And Circular Economy For Environmental Sustainability, Attia Attia, Mohamed Bassyouni Prof., Reem Nasser Eng., Moataz El-Bagoury Eng., Islam Shaker Eng., Yasser Elhenawy Prof., Dina Aboelela Dr.

Biochemical Engineering

A critical assessment of pyrolysis technologies and reactor designs was discussed, highlighting various reactor configurations. This study explored the influence of catalysts, temperature, heating rate, and residence time on the pyrolysis process, and addressed their effects on product distribution and composition. Safety considerations and strategies for mitigating the potential environmental impacts of pyrolysis were presented. Comparative analyses of the environmental impacts of traditional waste disposal methods versus pyrolysis-based approaches provided insights into the potential reduction of greenhouse gas emissions and other pollutants. The circular economy approach was explored in the context of medical plastic waste pyrolysis. The potential for closing …

Investigations Of Conjugate Heat Transfer And Fluid Flow In Partitioned Porous Cavity Using Darcy-Forchheimer Model: Finite Element-Based Computations, Nasir Yasin, Shafee Ahmad, Muhammad Umair, Zahir Shah, Narcisa Vrinceanu, Ghadah Alhawael

Mathematics & Statistics Faculty Publications

The conjugate heat transfer and fluid flow has vast applications in thermal engineering, particularly for cooling in thermal devices, and automobile engines. This study investigates conjugate heat transfer in 2D enclosures, featuring thin solid fins attached to a porous bottom wall. The porous medium is considered isotropic and homogeneous by the Darcy-Forchheimer model, with fluid phases in local thermal equilibrium. The boundary conditions at the porous fluid interface ensure continuity of the velocities, stresses, temperature, and heat flux. The phenomenon is mathematically modelled by obtaining a set of partial differential equations. The finite element method (FEM) is used to perform …

Using Preformed Particle Gels To Control Transport In Geothermal Reservoirs: Mathematical Modeling, Philip Winterfeld, Baojun Bai, Yu Shu Wu

Geosciences and Geological and Petroleum Engineering Faculty Research & Creative Works

We are developing swellable Preformed Particle Gels (PPG), which can control preferential fluid and heat flow through fracture networks to increase the performance of EGS reservoirs. Part of this development is a mathematical model and numerical simulator to simulate PPG treatments by considering coupled thermal-hydraulic-mechanical effects, and gel swelling kinetics and plugging efficiency, from which an optimized gel treatment design and operation can be achieved. The starting point for our mathematical model is the TOUGH2-CSM formulation and code. The TOUGH2-CSM fluid and heat flow formulation is based on the TOUGH2 one for multiphase, multicomponent, and multi-porosity systems, with the latter …

Predictive Modeling For Optimal Gel Treatment Design In Brownfields Using Ensemble Machine Learning And Data Upsampling Via Generative Ai, Munqith Aldhaheri, Baojun Bai, Mingzhen Wei

Geosciences and Geological and Petroleum Engineering Faculty Research & Creative Works

Efficiently designed gel treatments play a vital role in extending the lifespan of brownfields through rejuvenating oil production. Recently, a three-mode mathematical methodology named the VCR approach has been proposed for designing effective treatments. To optimize this approach, it is crucial to determine the appropriate design mode systematically rather than relying solely on the intuitive judgments of field operators. This study introduces an advanced methodology for predicting the optimal design type of gel treatments using 12 reservoir and production variables. The methodology integrates ensemble machine-learning (EML) models with historical data from 65 field projects across 11 countries (1985-2020). The Random …

Identifying Potential Risk Areas Close To The Oil And Gas Pipelines Due To Subsidence In Qazvin Plain, Mahmoud Rajabi, Sanaz Vajedian, Ryan Smith, Neil Grigg, Hossein Nahavandchi, Mehdi Goli

Geosciences and Geological and Petroleum Engineering Faculty Research & Creative Works

Surface displacement caused by natural and anthropogenic activities poses a significant risk to subsurface pipelines, particularly in areas experiencing subsidence. Stress and strain induced by deformation can lead to pipeline buckling and potential vulnerability. This study applies a multidisciplinary approach integrating interferometric synthetic aperture radar (InSAR) deformation analysis, well data, and geological context to assess the risk to oil and gas pipelines in Iran's Qazvin plain. The focus is on evaluating the impact of an unconfined aquifer, which has a lower risk of subsidence compared to a confined aquifer, on pipeline infrastructure. We analyzed multitemporal Sentinel-1 data collected between 2014 …

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 …