Chemical Engineering Commons^™

Cu/Bnx Catalysts For Electrocatalytic Reduction Of Nitrogen And Nitrate Waste, Siming Huo

Dissertations

Ammonia (NH₃) is one of the most important chemicals to the whole human society. The invention of the Haber-Bosch process enabled the industrial production of NH₃. However, owing to the high capital costs of the centralized plant and the equipment and the negative environmental impact, it is no longer suitable for today's needs of human development. As a result, there is an urgent need to investigate sustainable approaches for ammonia production. Among those reported studies, nitrogen reduction (NRR) and nitrate reduction reaction (NO₃RR) are considered applicable in the future. However, after decades of studying …

Pbm And Dem Simulations Of Large-Scale Closed-Circuit Continuous Ball Mill Of Cement Clinker, Nontawat Muanpaopong

Dissertations

Cement milling is known to be inefficient and energy-intensive. Thus, even small improvements in cement milling's performance could significantly reduce operation costs. This dissertation aims to develop a simulation tool for dry milling and generate a fundamental process understanding, which enables process optimization. To this end, a true unsteady-state simulator (TUSSIM) for continuous dry milling is developed and applied to model various processes: (a) open circuit continuous mills, (b) closed-circuit continuous mills, and (c) vertical roller mills. TUSSIM is based on the solution of the cell-based population balance model (PBM) for continuous milling, which consists of a set of differential …

Development Of Non-Viral Nano-Carriers For Gene Delivery And Covid-19 Vaccines, Zhongyu Li

Dissertations

Gene therapy is one of the most promising medical fields with the potential to effectively advance the treatment of difficult diseases by producing therapeutic proteins or repairing defective gene sequences. However, gene therapy presents severe challenges in delivery including renal clearance, phagocytosis, enzymatic degradation, protein absorption, and cellular internalization barriers, which have been barriers for translation into the clinic. Naked nucleic acids, with their intrinsic negative charge, electrostatically repulse the anionic cell membrane, preventing cellular uptake. Also, they are considered foreign genetic material when introduced into the body and are rapidly cleared by the reticuloendothelial system or degraded by nucleases, …

Development Of Novel Nanocarbon Based Materials And Membranes With Enhanced Biocidal Capabilities For Clean Water Generation, Indrani Gupta

Dissertations

Water scarcity is one of the major challenges facing humanity today, driven by population growth, economic development, and dietary shifts towards more water-intensive animal products. To address this issue, efficient water resource management and recycling of wastewater are essential. However, around 80% of wastewater globally is discharged into water bodies without treatment, posing a risk to ecosystems and human health. Pathogens, or harmful microorganisms, are a primary cause of water impairment and the transmission of waterborne diseases, leading to increased mortality rates. Traditional methods of treating pathogens involve the use of radiation or chemical disinfectants. Nonetheless, these methods have drawbacks, …

Molecular Simulations Of Mechanical Effects Of Adsorption In Gas And Liquid Phases, Alina Emelianova

Dissertations

Fluids adsorbing in nanoporous solids cause high pressures that affect the solids and the properties of the fluids themselves. This work explores the mechanical response of solids to the adsorption of gas and liquid. Chapter 1 outlines the current achievements in investigating the mechanical response of adsorbents to the adsorption process, specifically, the computational approaches to predict adsorption-induced deformation. Chapter 2 introduces the theoretical and computational methods employed in this work. Chapters 3-7 address the design and application of the computational techniques for such prediction in different systems: mesoporous silica, microporous zeolites, and metal-organic frameworks, and Chapter 8 focuses on …

Electrodialysis Process For The Simultaneous Treatment Of Reject Brine And Capture Of Carbon Dioxide, Jawad Mustafa

Dissertations

Desalination plants are highly efficient in producing desalinated water for potable applications. However, the process also generates reject brine, which is highly concentrated saline water. In order to produce 1 liter of potable water using desalination, approximately 1.5 liters of reject brine is generated. The disposal of reject brine presents a significant challenge for the desalination industry. Typically, this waste product is discharged into the sea, causing environmental damage, and polluting marine life. Moreover, certain countries heavily rely on desalination to meet their potable water needs, which results in the emission of greenhouse gases. As desalination plants consume a significant …

Advanced Materials For High Performance Lithium-Sulfur Batteries, Jian Yang

Dissertations

With the advantages of high capacity and low cost, lithium-sulfur batteries (LSBs) have been considered as one of the most promising candidates for next-generation batteries. However, the wide adoption of LSBs to the commercial markets is limited due to the fast capacity decay and low utilization of sulfur. To address these issues, advanced cathodes with high electronic conductivity and strong affinity to elemental sulfur and lithium polysulfides, which are intermediate products during the charge/discharge process, have been developed in this program. Carbon aerogels (RFCs) with controllable porous architectures have been fabricated through adjusting the process parameters and used as the …

Integrated Experimental And Dft Study Of Palladium And Nickel Metals Supported On Reducible Metallic Oxides For Selective Hydrogenation Of Alkynes And Dienes Bonds, Toyin Daniel Shittu

Dissertations

This dissertation investigates the capacity of ceria (CeO₂) to serve as a stand-alone reactive catalyst, and to act as catalyst support for different catalyst configurations. Experimental and density functional theory (DFT) approach were used to critically predict and to design ceria-containing catalysts. Ceria owes the catalytic propensity to the ability to undergo switch in the oxidation state from the +4 to +3 states. Motivated by experimental studies involving CeO₂ catalysts, defects CeO₂ surface with an oxygen vacancy (CeO2(111)_Vo) was used to explore the decomposition chemistry of methanethiol based on DFT. The potential formation pathways revealed that …

Faceted Nanomaterial Synthesis, Characterizations And Applications In Reactive Electrochemical Membrane Filtration, Qingquan Ma

Dissertations

Facet engineering of nanomaterials, especially metals and metal oxides has become an important strategy for tuning catalytic properties and functions from heterogeneous catalysis to electrochemical catalysis, photocatalysis, biomedicine, fuel cells, and gas sensors. The catalytic properties are highly related to the surface electronic structures, surface electron transport characteristics, and active center structures of catalysts, which can be tailored by surface facet control. The aim of this doctoral dissertation research is to study the facet-dependent properties of metal or metal oxide nanoparticles using multiple advanced characterization techniques. Specifically, the novel atomic force microscope-scanning electrochemical microscope (AFM-SECM) and density functional theory (DFT) …

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 …

Microhydrodynamic, Kinetic And Thermal Modeling Of Wet Media Milling For Process Optimization And Intensification, Gulenay Guner

Dissertations

Nanoparticle production by wet stirred media milling (WSMM) is a common method for the formulation of poorly water-soluble drugs. While most of the studies in the WSMM literature focus on the formulation aspects to overcome the stability challenges, a thorough mechanistic understanding of the process is lacking, and the process is slow, costly, and energy-intensive. This dissertation presents experimental and modeling work with the ultimate goals of (i) gaining a deeper and more mechanistic understanding of the WSMM process and breakage kinetics of the particles using a microhydrodynamic model with various improvements and advancements, (ii) examining the heat dissipation during …

A Novel Biomaterial Platform For Cardiac Tissue Engineering, Andrew House

Dissertations

Heart disease is one of the leading causes of death in the world. With a growing demand for in vitro cardiac models that can recapitulate the complex physiology of the cardiac tissue, there is a desire to create novel therapies and treatments. However, due to a lack of fundamental understanding of the heart's inflammatory response to myocardial infarction, the development of new therapies is both time consuming and costly. In this work, a novel approach to fabricating a dynamic hydrogel cardiac platform is reported. This platform better mimics the dynamic changes occurring in the native cardiac tissue microenvironment during cardiac …

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 …

Platinum Nanoparticles, Targeted Therapy For Triple Negative Breast Cancer, Aida Lopez Ruiz

Dissertations

Nanotechnology is a multidisciplinary field that has many different applications including cancer treatment and detection. Noble metal nanoparticles such as gold, silver or palladium, have shown major potential in the field of medicine and pharmaceutics. In particular, platinum nanoparticles (Pt NPs) have been reported with promising anticancer results. The activity of nanoparticles is based on their small size and high surface area; these properties allow them to penetrate biofilms as well as influence intracellular mechanisms. Recent studies indicate that Pt NPs can be used as a therapy for cancer showing a limited toxicity to healthy cells. Hence, in this work, …

Towards High-Rate Thermoplastic Composites, Chris Croshaw

Dissertations

This dissertation attempts to identify and address the problems associated with high-rate thermoplastic composites. Herein, three primary research thrusts were investigated; the first two chapters focus on the melt-state degradation mechanism of PEKK copolymers and its role on downstream crystallization and thermomechanical properties, the third chapter examines the role of graphene nanoplatelets (GNP) on the crystallization and melting behavior of PEKK 70/30, and the final chapter focused on radio frequency and induction heating of PEKK nanocomposites.

The melt-state degradation mechanism was identified using a combination of x-ray photoelectron spectroscopy (XPS), molecular dynamics (MD), and quantum mechanics (QM) simulations. Melt-state degradation …

Study Of Sustainable Development In Paper, Printing And Packaging Material Applications To Support Circular Economy, Prashant Ramesh Kotkar

Dissertations

To support circular economy and sustainability, the use of suitable material in paper, printing, and packaging industries, for several types of industrial printing material and printed product applications, plays a significant role for end user applications. Several types of packaging printing materials, specifically those finished with different printing technologies and exposed to different environmental conditions are targeted.

The purpose of this research study is to improve design and evaluation for paper, printing, and packaging material sustainability in end-user applications, to deal with the addressed sustainability issues brought by the paper, printing and packaging products end user groups. As the impacts …

Effect Of Current Density Ramping On The Anodic Reaction And Morphology Of Aerospace Aluminum Alloys, Peter Totaro Jr.

Dissertations

Aluminum anodizing has been experimented with and studied over the last century because of its ability to form uniform, well ordered cellular coatings on aluminum alloys. Anodizing aerospace alloys has been problematic, due to the alloying elements used to add strength and resistance to stress cracking corrosion. These intermetallic compounds, i.e., copper and zinc, promote oxygen evolution and stress as they accumulate in and on the surface of the forming aluminum oxide. These inclusions lead to increased electrical resistance that forms porous and flawed coating, which can lead to industrial and field failures. The amount of voltage placed on the …

Effect Of Fluid Penetration On The Damage Processes And Microseismicity Due To The Hydraulic Fracturing Of Rocks, Catarina Baptista-Pereira

Dissertations

The hydraulic fracturing is used when fluids are injected inside the matrices of rocks to allow the creation of new cracks while, the propagation of the existent cracks can also occur. This process has been widely used for the past decades in the deep earth energy sector which comprises four main subsectors: 1) recovery of geothermal resources, 2) CO₂ and hydrogen sequestration; 3) wastewater and nuclear waste disposal, and 4) recovery of (non)conventional fluids. By creating new flow paths or enhancing the existing ones, the pores are allowed to connect and, thus, it increases the permeability of rocks. For …

Effect Of Process Control Agents Used In Mechanochemical Synthesis On Properties Of The Prepared Composite Reactive Materials, Mehnaz Mursalat

Dissertations

The study explores synthesis and reactivity of new reactive materials prepared by ball milling. High-energy ball milling became a ubiquitous mechano-chemical tool to manufacture diverse powders, from pharmaceuticals or foods to alloys to new solid rocket propellants. It enabled a dramatic expansion of the range of chemical compositions obtainable; however, it did not so far, allowed one to fine-tune morphology or interfaces in the generated powders. It is shown in this work how different process control agents (PCAs) can serve to tune the powder morphology and reactivity. Commonly used as lubricants and cooling agents during milling, liquid PCAs can be …

Understanding The Interfacial Processes Of Reactive Nanobubbles Toward Agricultural Applications, Xiaonan Shi

Dissertations

There is a growing interest in nanobubble (NB) technology because of its diverse applications (e.g., detergent-free cleaning, water aeration, ultra-sound imaging and intracellular drug delivery, and mineral processing). NBs have a higher efficiency of mass transfer compared to bulk scale bubbles due to the high specific surface areas. The high specific surface also facilitates physical adsorption and chemical reactions in the gas liquid interface. Furthermore, the collapse of NBs creates shock waves and the formation of hydroxyl radicals (OH).

However, it remains elusive why or how NBs are stabilized in water and particularly, the states of internal pressures of NBs …

Atmospheric Mercury Chemistry: Detection, Kinetics, And Mechanism, Na Mao

Dissertations

The presence of mercury in the environment is of global concern due to its toxicity. The atmosphere is an important transient reservoir for mercury released by human activities and natural sources. The knowledge of atmospheric mercury chemistry is critical for understanding the global biogeochemical cycle. In the atmosphere, mercury primarily exists in three forms: gaseous elemental mercury (GEM), gaseous oxidized mercury (GOM), and particulate-bound mercury (PBM). Over the last decade, the existing knowledge of mercury cycle has dramatically changed: (1) There has been increasing evidence that current detection methods do not accurately quantify gaseous oxidized mercury and a technique which …

Receptor-Doped Organic Transistors: Transducing Anion Binding From Mixed Ionic-Electronic Transport, Anthony Benasco

Dissertations

Organic semiconductors based on π-conjugated polymers show remarkable properties such as high tolerance to structural defects, low processing temperature requirements, biocompatibility, ease of fabrication, and tunable properties. Conjugated polymers integrated into device arrays can exhibit collective properties sensitive to minor perturbations in the surrounding media. However, these devices rely on serendipitous sensitivity to the analyte of interest, and strategies for specific detection remain a considerable change. There remains a compelling, global need for technologies to monitor phosphate due to its prevalence in agricultural runoff, leading to fish kills and economic decline for commercial and recreational fisheries. The strong hydration energies …

Membrane Bioreactor For Enhanced Enzymatic Hydrolysis Of Cellulose, Saleha Abdullah Al-Mardeai

Dissertations

With the rising environmental concerns related to fossil fuels utilization and the depletion of these resources, interest in bioethanol from lignocellulosic waste as an alternative, sustainable energy source has been increasing. Date palm waste is considered a good feedstock for bioethanol production, especially in countries of large date palm plantations, such as the United Arab Emirates.

In the lignocellulose to bioethanol process, the enzymatic hydrolysis of celluloses to produce simple sugars that can be converted to bioethanol by fermentation is the most challenging step, and enhancing it is essential for efficient and feasible operation. Enzyme inhibition by the products is …

Koh-Based Modified Solvay Process: Optimization And Kinetics Studies, Aya Abdel-Hamid Mourad

Dissertations

While desalination of seawater is important for meeting the water demand, the technology produces large volumes of reject brine and CO₂, causing environmental pollution. Solvay process (based on ammonia, NH₃) and modified Solvay process (based on calcium oxide, CaO) try to manage these wastes. However, more attention is needed to overcome different limitations of these processes such as, alkaline solubility, operating temperature, maintaining high pH value, and low sodium (Na⁺) removal efficiency, which does not exceed 35%. The aim of this work is to introduce an alternative alkaline, namely potassium hydroxide (KOH) and investigate …

A Vacuum-Driven Distillation Technology Of Aqueous Solutions And Mixtures, Guo Guangyu

Dissertations

Distillation of aqueous solutions and aqueous mixtures has vast industrial applications, including desalination, wastewater treatment, and fruit juice concentration. Currently, two major distillation technologies are adopted in the industry, membrane separation and thermal distillation. However, both of them face certain inevitable drawbacks. Membrane separation has disadvantages as relying on high-grade energy, requiring membrane, fouling problem, narrow treatment range, limited scalability, and vibrating and noisy operating conditions. Traditional thermal distillation technologies can avoid above concerns but has other shortcomings, such as relatively low energy efficiency and yield rate, complicated and bulky system structure, and scaling problem.

This project proposes an innovative …

Hydrodynamic Characterization Of Laboratory And Production Equipment For Pharmaceutical Testing And Manufacturing Using Experimental And Computational Approaches, Chadakarn Sirasitthichoke

Dissertations

The hydrodynamics of process units used in pharmaceutical industry, i.e., the distribution of velocity profiles and shear stresses within the vessel, often controls the process performance, significantly affecting product quality. The hydrodynamics is strongly influenced by several factors such as the vessel shape, stirrer type, presence of internals and baffles, agitation intensity, and liquid properties. Most of these parameters can be varied by the process designers and the operators to achieve the desired process outcomes. The impact of the hydrodynamics on the process outcome can be profound in both large vessels (e.g., reactors) and smaller vessels (e.g., dissolution vessels), involving …

Electric-Field-Driven Processes In Multiphase Fluid Systems, Qian Lei

Dissertations

Advantages of using electric fields in miniaturized apparatuses for a wide range of applications are revealed by numerous experimental and theoretical studies over the last several decades as it offers a simple and efficient method for manipulation of multiphase fluid systems. This approach is considered to be especially beneficial for control of boiling processes and colloidal suspensions considered in the presented work.

Boiling. Today's trends for enhancing boiling heat transfer in terrestrial and space applications focus on removal of bubbles to prevent formation of a vapor layer over the surface at a high overheat. In contrast, this dissertation presents a …

Bodipy Based Photodynamic Therapy And Potassium Probes, Xiangshan Liu

Dissertations

Boron dipyrromethene (BODIPY) has become more and more popular in photophysical and biological applications. BODIPY based fluorescence compounds have numerous advantage properties including low toxicity, high absorption extinction coefficients, high fluorescence quantum yields, sharp fluorescence emissions, and resistance to photobleaching. All the good properties lead to the wide applications of BODIPY based compounds. In this research, two different kinds of BODIPY are synthesized. Firstly, BDBrC containing carbazole and BODIPY core is synthesized. Cellular uptake research shows BDBrC can target on lysosome and singlet oxygen generation research result indicates that BDBrC can be used in photodynamic therapy. BDBrC also shows pH-sensitive …

Multi Stage Modified Solvay Process For Co2 Capture And Reject Brine Desalination, Ameera Fares Mohammad

Dissertations

Brine management is an environmental concern, as many desalination plants need to find suitable approaches for the treatment or disposal of the large amounts of concentrated brine that are produced. Many conventional methods are used such as disposal through deep well injection, but these methods still suffer from many drawbacks. An alternative approach is to further process the brine by extracting the salts through reactions with carbon dioxide. The chemical reactions of reject brine with high alkalinity products and carbon dioxide are postulated to constitute a new, effective, economic and environmentally friendly approach. On the other hand, a major challenge …

Advances In Modeling Gas Adsorption In Porous Materials For The Characterization Applications, Max A. Maximov

Dissertations

The dissertation studies methods for mesoporous materials characterization using adsorption at various levels of scale and complexity. It starts with the topic introduction, necessary notations and definitions, recognized standards, and a literature review.

Synthesis of novel materials requires tailoring of the characterization methods and their thorough testing. The second chapter presents a nitrogen adsorption characterization study for silica colloidal crystals (synthetic opals). These materials have cage-like pores in the range of tens of nanometers. The adsorption model can be described within a macroscopic approach, based on the Derjaguin-Broekhoff-de Boer (DBdB) theory of capillary condensation. A kernel of theoretical isotherms is …