Chemical Engineering Commons^™

Origin Of Capacitance In Perovskite Solar Cells: Insight Vision On The Energy Band Diagram, Ziad Khalifa, Sameh Abdellatif, Monica Roman

Chemical Engineering

In recent years, perovskite solar cells (PSCs) have made significant progress, with fast improvements in energy conversion. Although they have become incredibly efficient in a short amount of time, they still face several obstacles before becoming a viable commercial technology. Researchers spent time looking for an equivalent circuit that could describe the J-V curves of PSCs and demonstrate the physical processes of optical absorption and carrier transit. In this paper, we proposed a model of perovskite solar cells (PSCs) using SCAPS software to determine the parasitic elements and show the solar cell's behavior. A previous model of a perovskite solar …

Elucidating Self-Assembly Of Semiconducting Polymers In The Presence Of A Low Molecular Weight Gelator, Madhubhashini Lakdusinghe

Theses and Dissertations

Semiconducting polymers with a conjugated backbone are important for energy storage, conversion, and biomedical field applications. The self-assembly process of these polymers in solutions depends on the polymer concentration and quality of the solvent. The electrical properties of thin films obtained from the solution phase depend on the self-assembled process. Thin films of conjugated polymer gels with percolating networks of self-assembled structures display improved electrical conductivities. In this dissertation, we studied the impact of the secondary gel matrix formed by a low molecular weight gelator, on the self-assembly of conjugated polymers, the preservation of assembled structures in dried gel films …

Nanoscale Modeling Of Membrane Systems Under Mechanical Deformation In Traumatic Brain Injury Using Molecular Dynamics, Anh Thi Ngoc Vo

Theses and Dissertations

Neuronal membrane disruption and mechanoporation are nanoscale damage mechanisms that critically affect brain cell viability during traumatic brain injury (TBI). These nanoscale cellular impairments are elusive in experiments and necessitate in silico approaches such as molecular dynamics (MD) simulations. Implementing MD, this research aims to investigate the effects of different key factors related to membrane deformation and damage, including force field resolutions, lipid compositions, and loading conditions.

To examine the impact of force field resolution, MD deformation simulations were conducted on 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphatidylcholine (POPC) lipid bilayer membranes, using all-atom (AA), united-atom (UA), and coarse-grained Martini (CG-M) force fields. The mechanical responses …

Designing Bioinspired Materials With Tunable Structures And Properties From Natural And Synthetic Polymers, Anandavalli Varadarajan

Theses and Dissertations

Biological systems are composed of complex materials which are responsible for performing various functions, such as providing structural support, mobility, functional adaptation to the environment, damage repair, and self-healing. These complex materials display excellent mechanical properties and can rapidly adapt to external stimuli. Thus, nature inspires in terms of source materials, functions, and designs to develop new-generation structural and functional materials. Polymers (natural or synthetic) are excellent sources of developing materials to mimic the functions of soft segments in biological systems. This dissertation focuses on synthesizing and characterizing two different materials with tunable structures and properties: complexes from natural polysaccharides …

The Cosolvent And Association Effect On Polymer Behaviors, Xiangyu Zhang

Theses and Dissertations

The blending or mixing is extensively utilized in diverse processes of polymers to bring about advantageous properties, but the behavior becomes intriguing when associations are involved and multi-solvents are used. Explanations based on chemistry-specific arguments are less than satisfactory in abstracting essential features, and lack the general applicability across various systems. So, this work focuses on capturing the physical force governing the phenomenon of interest by using a generic model. Highly non-trivial behaviors of polymers are often observed in multi-solvent solutions. It is known that polymers swell and dissolve in good solvents, while they tend to collapse and aggregate in …

Tuning The Metal/Acid Functionalities In Hzsm-5 For Efficient Dehydroaromatization, Genwei Chen

Theses and Dissertations

The increasing production of natural gas liquids attracts both academia and industry to develop on-purpose techniques converting those light alkanes to value-added chemicals. Dehydroaromatization is an alternative path for light alkane conversion to produce aromatics but still lacks active and stable catalysts. This work aims at the development of efficient dehydroaromatization catalysts by tuning the metal/acid bifunctionality of the Pt/HZSM-5 catalyst. Additionally, through co-processing light alkane with ammonia during the dehydroaromatization process, this study also proposes a new reaction system that could directly link the C-N bond for nitrile synthesis.

The results suggested that the activity, selectivity, and stability of …

Discovering The Kinetic Behaviors Of Zeolites Of Mordenite, Ferrierite, Faujasite, Beta, Weixuan Huang

Theses - ALL

Fossil fuels have played a significant role in the development of nations. However, they have also given rise to various societal problems. In this context, Gamma-Valerolactone (GVL) emerges as a potential solution as a fuel additive and feedstock for the production of gasoline, jet fuel, and other products. GVL can undergo decarboxylation reactions facilitated by zeolite catalysts. Surprisingly, it has been observed that reactions taking place on different zeolites, despite having similar Brønsted acid site densities, exhibit distinct simulated initial rates. This research aims to compare the initial rate trends of mordenite and its poisoned derivatives with those of the …

Discovering The Kinetic Behaviors Of Zeolites Of Mordenite, Ferrierite, Faujasite, Beta, Weixuan Huang

Theses - ALL

Fossil fuels have played a significant role in the development of nations. However, they have also given rise to various societal problems. In this context, Gamma-Valerolactone (GVL) emerges as a potential solution as a fuel additive and feedstock for the production of gasoline, jet fuel, and other products. GVL can undergo decarboxylation reactions facilitated by zeolite catalysts. Surprisingly, it has been observed that reactions taking place on different zeolites, despite having similar Brønsted acid site densities, exhibit distinct simulated initial rates. This research aims to compare the initial rate trends of mordenite and its poisoned derivatives with those of the …

Activation Of The Renin–Angiotensin–Aldosterone System Is Attenuated In Hypertensive Compared With Normotensive Pregnancy, Robin C. Shoemaker, Marko Poglitsch, Hong Huang, Katherine Vignes, Aarthi Srinivasan, Cynthia Cockerham-Morris, Aric Schadler, John Anthony Bauer, John O'Brien

UK CARES Faculty Publications

Hypertension during pregnancy increases the risk of adverse maternal and fetal outcomes, but the mechanisms of pregnancy hypertension are not precisely understood. Elevated plasma renin activity and aldosterone concentrations play an important role in the normal physiologic adaptation to pregnancy. These effectors are reduced in patients with pregnancy hypertension, creating an opportunity to define the features of the renin–angiotensin–aldosterone system (RAAS) that are characteristic of this disorder. In the current study, we used a novel LC-MS/MS-based methodology to develop comprehensive profiles of RAAS peptides and effectors over gestation in a cohort of 74 pregnant women followed prospectively for the development …

Genesis Of The 1.45 Ga Kratz Spring Iron Oxide-Apatite Deposit Complex In Southeast Missouri, Usa: Constraints From Oxide Mineral Chemistry, Brandon Sullivan, Marek Locmelis, Bolorchimeg N. Tunnell, Cheryl M. Seeger, Marilena Moroni, Sarah Dare, Ryan Mathur, Thomas Schott

Geosciences and Geological and Petroleum Engineering Faculty Research & Creative Works

Seven major and numerous lesser Fe oxide occurrences within the 1.47 Ga St. Francois Mountains terrane in Missouri (USA) have previously been described as iron oxide-apatite (IOA) and iron oxide-copper-gold (IOCG) deposits. Researchers speculate that these contain significant amounts of critical minerals, most notably rare earth elements and cobalt. One of the less-studied deposits in the region is the 1.455 Ga Kratz Spring deposit. The deposit consists of two steeply dipping magnetite bodies beneath 450 m of sedimentary cover. The genesis of the Kratz Spring deposit and its relationship to nearby IOA-IOCG deposits remains poorly constrained. To better understand the …

Novel Breath Collection Techniques For Detection Of Covid-19., James Morris

Electronic Theses and Dissertations

Volatile Organic Compounds (VOC) generated endogenously in the human body can be used to detect diseases that induce oxidative stress and inflammation. Breath analysis has been used for the detection of diseases such as COPD, Depression, Lung Cancer and most recently COVID-19. Methods such as Exhaled Breath Condensate (EBC), Sorbent Tubes, Solid Phase Microextraction (SPME), and silicon microreactors have shown considerable capability in extracting and concentrating trace VOC’s present in human breath. Silicon microreactors functionalized with capture agents to derivatize carbonyl compounds are effective but the overall maximum flow rate of breath sample possible during analysis is low, making direct …

Experimental And Numerical Investigation Of Fluid Flow Behavior Through Fractured Wellbore Cement, Mahya Hatambeigi

Civil Engineering ETDs

Leakage from wellbores has been a major challenge in the energy industry, leading to groundwater contamination, reduced productivity, safety hazards, and increased operating costs. Cemented annulus fractures are a common type of leakage pathway in wellbores that can form due to various physical and chemical conditions. The number of wellbore leaks continues to increase globally, making it imperative to develop a better understanding of the complex mechanisms governing fluid flow through fractured wellbore cement. Understanding the behavior of fluid flow through a leaky cemented annulus is crucial for evaluating the leakage potential and risk assessments in wellbore systems, as well …

Design And Simulation Of A Utility Oilfield Flare In Iraq/Kurdistan Region Using Cfd And Api-521 Methodology, Ahmed A. Maaroof, Joseph D. Smith, Mohammed H.S. Zangana

Chemical and Biochemical Engineering Faculty Research & Creative Works

This paper aims at reviewing and analyzing the operation and design of a utility flare in an oilfield in the Iraq/Kurdistan region. The flare supports a gas separation unit that separates 100 MMSCFD of natural gas from other liquid compounds in petroleum refining. The actual flare dimensions are 50 m high and 0.6 m diameter and works in summer where the crosswind speed is 9 m/s and a flow of 1.2 MMSCFD of treated natural gas is flaring through it. At the beginning, the flare design was performed using the API-521 recommended approach based on full operating capacity of the …

Investigation Of Cyclic Gaseous Solvent Injection For Enhanced Oil Recovery In Unconventional Formations, Samuel Asante Afari

Theses and Dissertations

Unconventional resources have been known to hold vast quantities of hydrocarbons. However, exploiting the oil and gas they hold was previously challenging due to their low permeabilities. Recent advances in horizontal well drilling and hydraulic fracturing have enabled oil and gas production from these reservoirs, leading to significant increases in energy supply to meet the growing energy demand. However, despite the relative technological success, considerable obstacles persist; oil production from unconventional wells often declines by more than 20% of their initial production rate within the first two years, leaving significant volumes of residual oil trapped in the formations. This overarching …

Carbon Fibers From Athabasca Oil-Sand Asphaltenes, Blake Reardon

All Theses

Carbon fibers possess ultra-high specific strength and modulus. Therefore, the material is popular in aerospace, automotive, and sports industries. Approximately 95% of all carbon fibers are spun from a high-cost precursor, polyacrylonitrile (PAN). There is a need for a cheaper grade of carbon fiber for low-cost applications because about half of carbon fiber cost is associated with precursor cost. A promising alternative to the high-cost PAN precursor is petroleum-based asphaltene. Asphaltenes are highly aromatic and have a high carbon content but lack the purity of the PAN precursor. Processes like the molten- sodium desulfurization upgrading have been used to harvest …

Mil-53(Fe) Derived Magnetic Cufe2o4/Fe2o3 Composite For Catalytic Oxidation Of Sulfamethoxazole Via Peroxymonsulfate Activation, Abdul H. Asif, Nasir Rafique, Rajan A. K. Hirani, Lei Shi, Yantao Wang, Xiaoguang Duan, Yu Yin, Hongqi Sun

Research outputs 2022 to 2026

Design of metal–organic framework (MOF) derived metal oxides is an effective approach for environmental remediation. The current study describes the fabrication of MIL-53-derived perforated CuFe2O4/Fe2O3 using a facile, one-step, post-thermal solid-state approach by varying Cu/Fe ratios. Herein, the release of CO2 and H2O during the thermal treatment facilitates the incorporation of Cu2+ onto the Fe2O3 structure, forming a perforated hollow CuFe2O4/Fe2O3 composite via an in-situ ion-exchange mechanism. The optimised catalyst CF-0.5 displays a high degradation efficiency for the removal of sulfamethoxazole (SMX) by heterogeneous activation of peroxymonsulfate (PMS), ascribing to the better textural, morphological, and elemental properties of the novel …

Effects Of Cobalt Salts On Biomass Conversion To Functional Carbon-Based Catalysts For Peroxymonosulfate Activation, Zhihao Tian, Qianru Chen, Shiying Ren, Huayang Zhang, Wenjie Tian, Hongqi Sun, Shaobin Wang

Research outputs 2022 to 2026

Metal functionalization is an effective structure-engineering strategy for preparing biomass-derived carbon materials, whereas the influences of different metal precursors on the structure and catalytic performance remain unclear. Herein, an investigation of four typical cobalt salts for pyrolytic biomass conversion is performed. The melting points and anion species of cobalt salts are found to be critical factors. Co-salts (cobalt nitrate (Co(NO3)2), cobalt acetate (Co(OAc)2), cobalt acetylacetonate (Co(acac)2)) melted at low temperatures ( ≤ 165 °C) could promote mesopore formation and catalyze the graphitization process of a biomass flower during the carbonization, finally forming mesoporous graphitic carbon matrixes with Co@graphitic-C nanoparticles and …

Distinct Modes Of Aged Soil Carbon Export In A Large Tropical Lake Basin Identified Using Bulk And Compound-Specific Radiocarbon Analyses Of Fluvial And Lacustrine Sediment, Wesley G. Parker, Jason M.E. Ahad, Jonathan Obrist-Farner, Benjamin Keenan, Peter M.J. Douglas

Geosciences and Geological and Petroleum Engineering Faculty Research & Creative Works

The 14C content of sedimentary organic matter (OM) and specific organic molecules provide valuable information on the source and age of OM stored in sediments, but these data are limited for tropical fluvial and lake sediments. We analyzed 14C in bulk OM, palmitic acid (C16), and long-chain n-alkanoic acids (C24, C26, and C28), within fluvial and lake sediments in the catchment of Lake Izabal, a large tectonic lake basin in Guatemala. We combined these measurements with bulk and compound-specific δ13C measurements, as well as sediment organic carbon to nitrogen (OC:N) ratios, to understand the source and age of sedimentary OM …

Addition Of Process Control Experiment To Unit Operations Ii Laboratory., Bradley Esselman

Electronic Theses and Dissertations

Process control is an essential aspect of manufacturing, contributing to improved process safety, efficiency, product consistency, and energy optimization. Chemical engineers are often responsible for ensuring the safe, efficient, and cost-effective operation of industrial processes, and process control plays a pivotal role in accomplishing this.

Chemical engineering students at the University of Louisville complete the course, Elements of Process Control, during the second semester of their fourth year. This lecture-based course offers limited hands-on, practical experience. To supplement the lack of hands-on experience in the classroom, a new process control experiment was designed and implemented into the Unit Operations …

Phosphatase And Pseudo-Phosphatase Functions Of Phosphatase Of Regenerating Liver 3 (Prl-3) Are Insensitive To Divalent Metals In Vitro, Jeffery T. Jolly, Ty C. Cheatham, Jessica S. Blackburn

Markey Cancer Center Faculty Publications

Phosphatase of regenerating liver 3 (PRL-3) is associated with cancer metastasis and has been shown to interact with the cyclin and CBS domain divalent metal cation transport mediator (CNNM) family of proteins to regulate the intracellular concentration of magnesium and other divalent metals. Despite PRL-3’s importance in cancer, factors that regulate PRL-3’s phosphatase activity and its interactions with CNNM proteins remain unknown. Here, we show that divalent metal ions, including magnesium, calcium, and manganese, have no impact on PRL-3’s structure, stability, phosphatase activity, or CNNM binding capacity, indicating that PRL-3 does not act as a metal sensor, despite its interaction …