Chemical Engineering Commons^™

Mechanical And Adhesive Properties Of Supramolecular, Mussel-Inspired Hydrogels, Daniel Darby

Theses and Dissertations--Chemical and Materials Engineering

The exceptional mechanical and adhesive properties of mussel byssal threads come from supramolecular interactions of ligands found in the proteins comprising them. Ligands can form hydrophobic interactions, π-π stacking interactions, and hydrogen bonds, but the strongest supramolecular interaction they demonstrate is metal-ligand coordination. Specifically, Histidine (His-) and nitrodopamine (nDOPA) ligands coordinate to metals in a bidentate fashion and take on tris-, bis-, and mono- modalities (3, 2, or 1 ligand per ion, respectively). The distribution of these modalities is controlled by equilibrium thermodynamics. These same ligands can be used as crosslinks in supramolecular hydrogel networks. Supramolecular hydrogel networks are dissipative, …

Molecular Understanding Of Zwitterions And Quantum Computing For Sustainability, Manh Tien Nguyen

Theses and Dissertations--Chemical and Materials Engineering

The sustainable development of society needs sustainable energy solutions and the mitigation of greenhouse gas emissions. One key subject in this area is the development of safe and efficient ion-based batteries. Moreover, CO₂ capture is a crucial pathway in mitigating emissions from the combustion of fossil fuels. Ongoing efforts are to improve both technologies' safety and efficiency. This thesis presents our efforts to conduct computational research on understanding advanced zwitterionic electrolytes and CO₂ capture. Chapters 2-4 illustrate the computational research to understand ionic solvation in zwitterionic electrolytes. Solid-state electrolytes are essential for safer batteries. While solid polymer electrolytes …

Thermal Analysis Of Thermal Shield For Pip-Ii Ssr1 Cryomodule, Victor Aguado Rodriguez

Graduate Research Theses & Dissertations

Fermilab's PIP-II project plans to enhance the onsite accelerator into the world's most intense neutrino beam, bringing Fermilab into the next generation of particle accelerators. The five different types of cryomodules are vital parts of the PIP-II project and each requires numerous engineering analyses to prove operation. For example, the thermal shield of the Single Spoke Resonator-1 (SSR1) cryomodule required a thermal analysis to ensure the design was operating as intended before fabrication commenced. The thermal shield is cooled by the supercritical helium inside of the extrusion and must remain between 45 and 80 Kelvin. The main purpose of the …

Insights To Surfactant Huff-Puff Design In Carbonate Reservoirs Based On Machine Learning Modeling, Ya Yao, Yue Qiu, Yue Cui, Mingzhen Wei, Baojun Bai

Geosciences and Geological and Petroleum Engineering Faculty Research & Creative Works

Surfactants could react with adsorbates on carbonate rock surface to alter wettability from oil-wetness to water-wetness, which is effective to enhance oil recovery. Surfactant huff-puff treatment is mostly applied for this purpose and the resulting surfactant performance is the outcome of complex interfacial processes. Currently, the effect of important parameters on surfactant performance is not completely reported and the contribution of each parameter to surfactant performance is hard to be quantified. Traditional methods to optimize surfactant performance are time-consuming and show strong dependency on extensive experiments. in this paper, we address these problems from machine learning (ML) perspectives. Several ML …

Coating Compositions And Methods For Using The Same, Fateme Rezaei, Thomas P. Schuman, Glenn C. Morrison

Patents

Coating compositions and methods for using the same are disclosed. The coating compositions can include an aminosilica adsorbent. The coating compositions can adsorb CO2.

Comprehensive Evaluation Of A Novel Re-Crosslinkable Preformed Particle Gel For The Water Management Of Reservoir With Concentrated Divalent Ions, Tao Song, Mohamed Ahdaya, Zhanmiao Zhai, Thomas P. Schuman, Baojun Bai

Chemistry Faculty Research & Creative Works

As one of the most widely used technology to ameliorate the reservoir's heterogeneity, polymer gels have been applied for more than 60 years. However, how to plug fractured reservoirs with significant abnormal features, high temperature and high salinity, especially the divalent cations, is still a challenging target. This work systematically evaluated a novel salt-resistant re-crosslinkable preformed particle gel (SR-RPPG) designed for fractured reservoirs with excellent salt resistance (up to 5 % CaCl₂). We evaluated the swelling kinetics, thermal stability and plugging efficiency of this SR-RPPG. We assessed the swelling kinetic and re-crosslinking behavior of the SR-RPPG through the …

Re-Assembling Polymer Particle Package For Conformance Control And Fluid Loss Control, Jingyang Pu, Baojun Bai, Thomas P. Schuman

Patents

This invention is broadly concerned with compositions and processes for oilfield applications. More specifically, this invention relates to novel polymer constructed packages that, when pumped into a petroleum well, provide tunable characteristics of transformation and delayed self-assembly with each other under reservoir conditions to yield strong, elastic, bulk gel materials. The compositions comprise a polymer, assembling agents, and optional additives used for the re-assembly stage are uniformly-distributed within the initial gel particles. The polymer particle packages absorb water and swell upon exposure to water, thus exposing the "assembling agents" that enable re-assembly. Both swelling and re-assembly are proportionally controlled via …

Investigation Of Additives And Ingredients Of Bio-Resin For Visible Wavelength Laser-Induced Polymerization, Patrick Riggs

College of Graduate Studies: Theses & Dissertations

Optical 3D printing is a branch of Additive manufacturing (AM) that utilizes low-waste production leading to efficient and rapid prototyping. Currently, this method of AM is associated with mainly petroleum-based resins. Bio-resin polymerization is an emerging research area for finding replacements for petroleum-based resins, but curing the resin with laser energy is not normally a practical use case. Current optical 3D printing uses lasers to cure liquid resins to form solid 3D objects in a layer-by-layer process which is time consuming, defect prone, and a leading limiting factor for high volume production; so, finding a way to incorporate bio-resin into …

Chemical Decomposition Of Flexible Polyurethane Foam To Generate A Media For Microbial Upcycling, Kaushik Baruah

Dissertations, Master's Theses and Master's Reports

Polyurethane waste is becoming a global concern as a large amount is being disposed of in landfills every year, and only a fraction is being recycled. Several polyurethane recycling techniques exist, of which ammonolysis and base-catalyzed hydrolysis is the least explored. Flexible polyurethane foam (FPUF) decomposition can generate amines that can act as a carbon source for the growth of microbial consortia. This study aims to generate a novel media capable of microbial upcycling via ammonolysis and base-catalyzed hydrolysis of flexible polyurethane foams (FPUFs) using ammonium hydroxide and subsequently determine the reaction conditions for maximum solubilization of polyurethane foam in …

Structural Evolution Of The Phu Kradung Formation By Calcite Veins Characterization, South Of Lam Sonthi District, Lopburi Province., Ausa Nonthason

Chulalongkorn University Theses and Dissertations (Chula ETD)

Calcite veins in Mesozoic sedimentary rock localities are found in the southern part of Lam Sonthi district, Lopburi province, in central Thailand, near the Loei-Petchabun fold belt regions. The vein’s host rocks are siliciclastic rocks, primarily mudstone and sandstone. The main aim of this study is to learn more about calcite vein geometry and development, as well as the structural evolution of calcite veins in the Phu Kradung formation in the Lam Sonthi area of Lopburi province. A petrographic and structural analysis of the veins was performed to examine the kinematics and geological structures of the calcite vein in the …

Geophysical Characteristics Of Kuan Kreng Peat Swamp Forest At Thale Noi Area, Theethach Phiranram

Chulalongkorn University Theses and Dissertations (Chula ETD)

Peatlands, as an important carbon sink, store a large amount of atmospheric carbon. However, peatlands are vulnerable to environmental alteration due to anthropogenic and natural processes. While peatlands are degraded, carbon dioxide emissions arise. The Kuan Kreng peat swamp forest is the second largest peatland in Thailand and is in coastal wetland serving for carbon stock in the subsurface. To assess carbon stock in peatland, the thickness and distribution of the peat layer are necessary. This study determines physical and chemical characteristics of the peatlands in the coastal wetland, southern Thailand by conventional core study and geophysical surveys, including ground …

Methyl Isobutyrate Production Via Hydrogenation Of Methyl Methacrylate Derived From Pyrolysis Of Acrylic Plastic Waste, Ramzi Nasser Ahmed Saif

Chulalongkorn University Theses and Dissertations (Chula ETD)

According to zero waste and upcycling policy, this work aims to utilize waste polymethyl methacrylate (PMMA) to methyl isobutyrate (MIB) via hydrogenation over nickel (Ni) based catalysts supported on commercial zeolites: HY, H-Beta-27 (SiO2/Al2O3 = 27 by mole), H-Beta-40 (SiO2/Al2O3 = 40 by mole) and H-ZSM-5. The appropriate catalyst support was first screen by using MMA monomer as the substrate for hydrogenation. Under 30 bar initial H2 pressure (PH2) at 250 °C for 3 h, Ni/H-Beta-27 catalyst effectively promoted hydrogenation to achieve 85% MMA conversion with 56.2 wt% MIB yield because of its larger external surface area and pore size. …

Hydrodynamic Investigation Of The Discharge Of Complex Fluids From Dispensing Bottles Using Experimental And Computational Approaches, Baran Teoman

Dissertations

The discharge of non-Newtonian, complex fluids through orifices of industrial tanks, pipes, dispensers, or packaging containers is a ubiquitous but often problematic process because of the complex rheology of such fluids and the geometry of the containers. This, in turn, reduces the discharge rate and results in residual fluid left in the container, often referred to as heel. Heel formation is undesired in general, since it causes loss of valuable material, container fouling, and cross-contamination between batches. Heel may be of significant concern not only in industrial vessels but also in consumer packaging. Despite its relevance, the research in this …

Design And Implementation Of Cardiopulmonary Resuscitation Simulation Model, Mbazingwa Mkiramweni

Tanzania Journal of Engineering and Technology (TJET)

Cardiopulmonary resuscitation (CPR) is a life-saving procedure that can multiply a person's chances of survival after a cardiac arrest. The effectiveness of CPR procedures is heavily influenced by the individual skills of the rescuer providing assistance. Chest compressions delivered at an appropriate depth and rate, allowing full chest recoil and with minimal interruptions, are critical for improving cardiac arrest survival. The lack of quality CPR training models in developing countries has a significant impact on the quality of CPR training and skills acquired. Therefore, in this paper, we aim at improving CPR training by designing a high-fidelity CPR training manikin. …

Polymeric Nitrogen: Computational Catalysis And Materials Design, Safa Alzaim

Dissertations

The urgent climactic crisis currently endangering all life on earth is largely due to the combustion of fossil fuels as an energy source. This work combines physics, chemistry, mathematics and computer science to develop new ways to harvest, store and use sustainable energy. In particular, this work centers on polymeric nitrogen (PN). PN is highly desirable because the energy density is extremely high. This energy density lends PN to applications such as rocket fuel and energetic materials. Recently, the polymeric phase N₈ was shown to be highly active for oxygen reduction reactions (ORR); the material is an excellent electrocatalyst …

Utilization Of Biopertalite For Fuel Efficiency And Reduction In Co And Co2 Gas Emissions In Four-Wheel Motor Vehicles, Ridwan Iskandar, Hadiyanto Hadiyanto, Suherman Suherman, Zainul Akmar Zakaria

Makara Journal of Technology

Emissions of carbon monoxide (CO) and carbon dioxide (CO2) gases are the main problem that must be rectified as they are harmful and contribute to global warming through the greenhouse gas effect. In Indonesia, motor vehicles, especially four wheelers, are one of the biggest contributors with up to 71 million tons of CO2 emissions and energy consumption of 179 million barrel of oil equivalent. Bioethanol has octane rating >100, which is higher than that of gasoline; and emission contribution of only 0.02 kg/L, which is lower than that from gasoline (2.23 kg/L). Accordingly, a mixture of gasoline and bioethanol is …

Application Of Distributed Fiber-Optic Sensing For Pressure Predictions And Multiphase Flow Characterization, Gerald Kelechi Ekechukwu

LSU Doctoral Dissertations

In the oil and gas industry, distributed fiber optics sensing (DFOS) has the potential to revolutionize well and reservoir surveillance applications. Using fiber optic sensors is becoming increasingly common because of its chemically passive and non-magnetic interference properties, the possibility of flexible installations that could be behind the casing, on the tubing, or run on wireline, as well as the potential for densely distributed measurements along the entire length of the fiber. The main objectives of my research are to develop and demonstrate novel signal processing and machine learning computational techniques and workflows on DFOS data for a variety of …

A Robust Random Forest Prediction Model For Mother-To-Child Hiv Transmission Based On Individual Medical History, Rebecca Chaula

Tanzania Journal of Engineering and Technology (TJET)

Human Immunodeficiency Virus (HIV) continues to be a leading cause of mortality and reduces manpower throughout the world. HIV transmission from mother to child is still a global challenge in health research. According to UNAIDS, in every 7 girls, 6 are found to be newly infected among adolescents whereby 15-24 years are likely to be living with HIV which is the maternal age and likely to transfer to the child. Machine learning methods have been used to predict HIV/AIDS transmission from mother to child but left behind some important considerations including the use of patient-level information and techniques in balancing …

Investigating The Support For Agility In Developing Government Software Systems: A Case Of Three East African Countries, Leonard Peter Binamungu

Tanzania Journal of Engineering and Technology (TJET)

Agile Software Development Methods support an iterative and incremental way of developing software systems while responding to change by prioritising various aspects at different times. This differs from traditional sequential methods like Waterfall, in which one software development stage has to be completed before starting the next stage. To produce software systems that meet the requirements of their institutions, several governments in Africa have issued standards and guidelines to be followed during the development of government software systems. Such standards and guidelines specify the specific activities and deliverables for each stage of software development. While well-intentioned, such guidelines and standards …

Generation Of Phase Transitions Boundaries Via Convolutional Neural Networks, Christopher Alexis Ibarra

Open Access Theses & Dissertations

Accurate mapping of phase transitions boundaries is crucial in accurately modeling the equation of state of materials. The phase transitions can be structural (solid-solid) driven by temperature or pressure or a phase change like melting which defines the solid-liquid melt line. There exist many computational methods for evaluating the phase diagram at a particular point in temperature (T) and pressure (P). Most of these methods involve evaluation of a single (P,T) point at a time. The present work partially automates the search for phase boundaries lines utilizing a machine learning method based on convolutional neural networks and an efficient search …

Water-Soluble Saponins Accumulate In Drought-Stressed Switchgrass And May Inhibit Yeast Growth During Bioethanol Production, Sarvada Hemant Chipkar, Katherine Smith, Elizabeth M. Whelan, Derek J. Debrauske, Annie Jen, Katherine A. Overmyer, Andrea Senyk, Larkin Hooker-Moericke, Marissa Gallmeyer, Joshua J. Coon, A. Daniel Jones, Trey K. Sato, Rebecca G. Ong

Michigan Tech Publications, Part 1

Background: Developing economically viable pathways to produce renewable energy has become an important research theme in recent years. Lignocellulosic biomass is a promising feedstock that can be converted into second-generation biofuels and bioproducts. Global warming has adversely affected climate change causing many environmental changes that have impacted earth surface temperature and rainfall patterns. Recent research has shown that environmental growth conditions altered the composition of drought-stressed switchgrass and directly influenced the extent of biomass conversion to fuels by completely inhibiting yeast growth during fermentation. Our goal in this project was to find a way to overcome the microbial inhibition and …

Deep Learning Of Microstructures, Amir Abbas Kazemzadeh Farizhandi

Boise State University Theses and Dissertations

The internal structure of materials also called the microstructure plays a critical role in the properties and performance of materials. The chemical element composition is one of the most critical factors in changing the structure of materials. However, the chemical composition alone is not the determining factor, and a change in the production process can also significantly alter the materials' structure. Therefore, many efforts have been made to discover and improve production methods to optimize the functional properties of materials. The most critical challenge in finding materials with enhanced properties is to understand and define the salient features of the …

Elucidation Of Active Site And Mechanism Of Metal Catalysts Supported In Nu-1000, Hafeera Shabbir

All Dissertations

Advances in extraction of shale oil and gas has increased the production of geographically stranded natural gas (primarily consisting of methane (C1) and ethane (C2)) that is burned on site. A potential utilization strategy for shale gas is to convert it into fuel range hydrocarbons by catalytic dehydrogenation followed by oligomerization by direct efficient catalysts. This work focuses on understanding metal cation catalysts supported on metal-organic framework (MOF) NU-1000 that will actively and selectively do this transformation under mild reaction conditions, while remaining stable to deactivation (via metal agglomeration or sintering). I built computational models validated by experimental methods to …

Life Cycle Assessment Of Novel Electrochemical Struvite Recovery In Municipal Wastewater Treatment At The Plant And U.S. Watershed Scales, Karla Morrissey

Graduate Theses and Dissertations

As the supply of phosphorus decreases, nutrient recovery in municipal wastewater treatment has become an important area of research. Recovery methods for phosphorus-containing fertilizers, such as struvite, and other products are currently being developed and assessed for their efficiency and economic feasibility. Potential environmental impacts from nutrient recovery are also being assessed as design for the environment is important, especially with regards to the eutrophying potential of phosphorus in phosphorus-limited freshwater aquatic systems. Life cycle assessment (LCA) is a tool that can be used to estimate potential environmental impacts of a product or service focusing on its entire life cycle. …

Investigations Of Prokaryotic Defense Systems, Hannah Domgaard

All Graduate Theses and Dissertations, Spring 1920 to Summer 2023

Bacteria are constantly threatened with infection by mobile genetic elements (MGE) such as bacteriophage and plasmids. Bacteriophage and plasmids require the bacteria's cellular infrastructure to replicate their genomes. Rampant replication can lead to cell death which is one reason why bacteria have developed a diverse array of immune systems to prevent or limit infection. This thesis studies three types of bacterial immune systems, type IV-A CRISPR-Cas (Clustered Regularly Interspaced Short Palindromic Repeat –CRISPR associated), type V-A2 CRISPR-Cas systems, and Wadjet systems.

The type IV-A system lies adjacent to a dinG-like helicase gene. Research has shown that this system can target …

Surface-Driven Instabilities At Oil-Water Interfaces, Anelisse Claros Mendieta

Graduate Theses and Dissertations

Fluid-fluid interactions are such a wide area and can be observed in different scenarios such as geothermal systems, waterflooding of reservoirs, oil recovery, and water treatment processes. This thesis aims to deepen the understanding of fluid-fluid interactions which include Marangoni flows, charge related instabilities, and surface activity. This thesis studied the interactions of micrometer-sized droplets of an oil (toluene) with surfactant Di-(2-ethylhexyl) phosphoric acid (DEHPA) in the aqueous phase. One of the main goals is to understand several surface-driven instabilities and how those can be manipulated for future applications.Furthermore, this thesis aims to use these oil-surfactant droplets as a medium …

Insight Into The Effects Of Cation Disorder And Surface Chemical Residues On The Initial Coulombic Efficiency Of Layered Oxide Cathode, Jin-Li Liu, Han-Feng Wu, Zhi-Bei Liu, Ying-Qiang Wu, Li Wang, Feng-Li Bei, Xiang-Ming He

Journal of Electrochemistry

Lithium layered oxide LiNi_0.6Co_0.2Mn_0.2O₂ (NCM622) is one of the most promising cathode materials in high-energy lithium-ion batteries for electric vehicles. However, one drawback for NCM622 is that its initial coulombic efficiency (ICE) is only about 87%, which is at least 6% lower than that of LiCoO₂ or LiFePO₄. In this work, we investigated the effects of surface chemical residues (e.g., LiOH and Li₂CO₃) and Li/Ni cation disorder resulted during the sintering on the ICE. We found that the ICE of the as-prepared samples could be boosted …

Scale Modeling Of An Appearance Of Downwash Pattern Of Hot Smoke Ejected From Chimney In The Turbulent Cross Flow, Xangpheuak Inthavideth, Nobumasa Sekishita, Sounthisack Phommachanh, Yuji Nakamura

Progress in Scale Modeling, an International Journal

This study aims to elucidate the scaling law to provide the critical condition on appearance of the downwash pattern of the hot smoke ejected from a chimney in a turbulent cross flow. A specially designed wind tunnel with an active turbulence generator developed by Makita was adopted to offer a quasi-isotropic turbulence field in a lab-scale test facility. A heated jet with smoke is issued into the cross flow from the vertically oriented chimney placed in the test section of the wind tunnel. In this study, the experimental parameters considered are temperature of the heated jet (smoke), jet ejected velocity, …

Exploring The Biomedical Applications Of Polyurethane-Based Foams, Films, And Hydrogels, Anand Utpal Vakil

Dissertations - ALL

Shape memory polymers (SMPs) are a class of smart materials that can be temporarily stored in a deformed shape and can actively recover their original shape upon exposure to an external stimulus, such as heat, magnetic field, moisture, pH, light, or electric field. The ability of SMPs to change shape when required can be used for a wide range of applications, especially in the case of minimally invasive biomedical applications. In this work, polyurethane-based SMPs were explored for their use in tissue engineering, drug delivery, and wound healing applications.

In the second chapter, low density porous foams with tunable degradability …

Synthesis And Characterization Of Nanocomposites For Environmental Remediation, Nethaji S

Technical Collection

My current work deals with the preparation and characterization of nanocomposites for effluent treatment applications. The expertise lies on the preparation of carbonaceous nanocomposites including graphitic materials. The prepared materials are characterized thoroughly by different methods like FE-SEM, TEM, FT-IR, XRD, VSM, surface area and porosity. The composite materials are used for the removal of conventional and emerging contaminants like antibiotics, pesticide residues, endocrine disruptors etc. In addition to the batch studies, fabrication of microcolumns to aid the scale-up of the process is also carried out. I have published 14 research publications with around 1000 citations and h-index of 11. …