Chemical Engineering Commons^™

Development Of Novel Catalysts For Air Pollution Control, Chao Wang

Theses and Dissertations

The development of economy strongly related with increased consumption of fossil fuels, which causes severe air pollution issue. With more and more strict environmental regulations implemented all over the world, robust and efficient emission control technologies need to be innovated and applied to overcome the pollution challenge. This dissertation focuses on utilizing heterogeneous catalysis to eliminate carbon monoxide (CO), hydrocarbons (CH_x) and nitric oxides (NO_x) emissions produced from fossil fuel combustion.

The first type of catalyst is Pd supported on Mn-Ce solid solution. It achieves 100% CO conversion at room temperature. The high activity is attributed …

Theoretical Investigation Of The Catalytic Hydrodeoxygenation Of Levulinic Acid Over Ru (0001) Catalyst Surface, Osman Mamun

Theses and Dissertations

Due to the rapidly declining fossil fuel reserves and the onset of global climate change, the development of active, selective, and stable catalytic materials for the efficient production of biomass derived platform chemicals, i.e., levulinic acid (LA), succinic acid (SA), γ-valerolactone (GVL) etc., is receiving considerable attention in order to produce second generation biofuels and commodity chemicals. Though solid lignocellulosic biomass is significantly cheaper than petroleum; however, the available technology is the significant barrier for large scale utilization of biomass for the production of biofuels. The development of biomass conversion technology requires, 1) identification of potential biomass chemicals that can …

Determination And Validation Of High-Pressure Equilibrium Adsorption Isotherms Via A Volumetric System, Hind Jihad Kadhim Shabbani

Theses and Dissertations

Adsorption equilibrium isotherms for N2, CO2, and CH4 on zeolite 13X were investigated at three different temperatures (25.5, 50.5 and 75.5 ̊ C) and a pressure range of (0-6.89475) MPa for CH4 and N2 and in the range of (0-4.82633) MPa for CO2 using built in volumetric apparatus. The results were validated using with a volumetric system (ASAP) at the same temperatures and a pressure up to (160-110) KPa respectively. The experimental results were correlated using three process Langmuir (TPLM). The correlated isotherms were then used to calculate the isosteric heat of adsorption for the three gases on 13X. The …

Stilbenes: Therapeutic Interventions Targeting Amyloid Β Protein Aggregation In Alzheimer’S Disease, Yiying Wang

Theses and Dissertations

Alzheimer’s disease (AD) is the most common form of dementia and accounts for 60-80 % of all dementia cases. In the United States, AD is ranked as the 6th leading cause of death and it is the only one among the top 10 that cannot be prevented, treated or even slowed. All FDA approved drugs focus on attenuating the symptoms for a limited time by regulating neurotransmitters without any intervention with the underlying disease process. A major player in the initiation and development of this debilitating disorder is the misfolding and subsequent aggregating of amyloid-β (Aβ) peptide. This aggregation process …

Ultrathin Graphene Oxide Membranes For Water Purification: Fundamentals & Potential Applications, Weiwei Xu

Theses and Dissertations

To develop ultrathin GO membranes with both high permeation rate and excellent selectivity, it is essential to understand the interlayer nanostructure and its influence on water purification performance. We purposely deposited GO at a fast rate and at a rate ~12 times slower to control the interlayer nanostructure of the resulting membranes. The d-spacing difference between proposed thermodynamically favored interlayer structure which formed at slow deposition rate and another relative randomly packed interlayer structure formed at fast deposition rate were corroborated by XRD, organic vapor deposition, and AFM. Molecular dynamics simulations further confirmed that, in type I structure, functionalized patches …

Statistical Mechanics Of Lipid-Liquid Crystal Systems: From Fundamentals To Sensing Applications, Donya Ohadi Kabir Maghsudlu

Theses and Dissertations

Understanding the thermodynamics of small systems has a well-established history. The non-intuitive behavior of the intensive properties of small systems comprised of less than a few hundred particles has important implications in many areas of engineering and materials science. Nevertheless, many open questions about the thermophysical properties of systems not in the thermodynamic limit remain unanswered. In the first part of this work, we explore the consequences of the coupling of two small subsystems that together make up a larger isolated system through the use of statistical mechanics and molecular dynamics simulations of Lennard-Jones particles in two dimensions. The results …

Pollutant Formation In Oxy-Coal Combustion, Nujhat Choudhury

Theses and Dissertations

With the increasing levels of carbon dioxide (CO2) in the atmosphere, researchers are driven to seek cleaner combustion techniques to burn coal for power generation. Oxy-coal combustion is a promising technique to cut down CO2 emissions. This technology requires the introduction of a pure oxygen (O2) stream and a recycled flue gas stream into the boiler instead of air. Flue gas stream generated from the system will be low in volume and highly concentrated in CO2. Thus, the capture and sequestration process will be facilitated. But, one of the concerns of adopting this technology is the altered chemistry of pollutants …

Photoelectrochemical Cell Constructed From Bby Membrane With Various Substrate Materials, Yang Liu

Theses and Dissertations

Photoelectrochemical cells have been intensively studied in recent years with regard to using thylakoid and photosynthesis system I/II. BBY membrane is another protein complex that has potential to be utilized to build photoelectrochemical cells. Within the BBY membrane lies the highly active photosynthesis system II complex, which upon light activation, generates electrons transported within the electron transport chain during photosynthesis in green plants. This study presents an approach of immobilizing thylakoid or BBY membrane onto gold nanoparticle modified gold plate or multi-walled carbon nanotube (MWCNT) modified indium tin oxide vi (ITO) coated glass substrate. The results show that BBY membrane …

Enhanced Energy Storage And Conversion Applications By Porous Carbon And Atomic Layer Deposition, Yomna H. Abdelmoaty

Theses and Dissertations

The design and synthesis of porous materials attracted great attention recently because of their potential use in many fields like clean energy and environmental protection. Herein, we introduced new synthetic approaches for the preparation for porous carbons and organic polymers for selective CO₂ and iodine capture application. Regarding CO₂ capture application, Two new

series of porous carbons (PYDCs) and (TRI-Ps) were synthesized by thermally activating Pyrazole and Triazolo Pyridine monomers respectively using KOH as a catalyst, which leads to porous carbon. PYDCs exhibit high surface area according to Brunauer–Emmett–Tellertheory (SA_BET = 1266–2013 m² g⁻¹), …

Computational All Atom Energy Density Landscape Mappings Of Intra-Protein Interactions From Static And Dynamic Ensemble Structure Data, Oscar H. Bastidas

Theses and Dissertations

Understanding the energetic and dynamic behavior of natural protein fluctuations is critical to elucidating important information associated with a multitude of protein functions including signaling processes, enzyme behavior, aggregation pathways etc... This information is also critically important in the development of novel and effective strategies aimed at target proteins associated with pathologies and disease. In order to obtain such useful information, tools and techniques are lacking that: 1) permit the efficient quantitative analysis of fluctuation behavior of existing protein structure ensembles and 2) permit computationally generated natural fluctuation states of proteins at relatively large timescales demanded by the need for …

Fabrication Of Flexible, Biofunctional Architectures From Silk Proteins, Ramendra K. Pal

Theses and Dissertations

Advances in the biomedical field require functional materials and processes that can lead to devices that are biocompatible, and biodegradable while maintaining high performance and mechanical conformability. In this context, a current shift in focus is towards natural polymers as not only the structural but also functional components of such devices. This poses material-specific functionalization and fabrication related questions in the design and fabrication of such systems. Silk protein biopolymers from the silkworm show tremendous promise in this regard due to intrinsic properties: mechanical performance, optical transparency, biocompatibility, biodegradability, processability, and the ability to entrap and stabilize biomolecules. The unique …

Renewable Carbon From Lignin Biomass And Its Electrode And Catalyst Applications In Batteries, Supercapacitors, And Fuel Cells, Muslum Demir

Theses and Dissertations

Over the last century, almost all of the carbon materials developed for the energy industry are derived from fossil fuels. The growing global concerns about energy needs, fossil fuels consumption, and the related environmental issues have motived scientists to find new, green and sustainable energy resources such as the wind, solar and biomass energy. Essentially, biomass-derived materials can be utilized in energy storage and conversion devices such as Li-ion batteries, fuel cells, and supercapacitors. Among the biomass resources, lignin is a high volume byproduct from the pulp and paper industry and is currently burned to generate electricity and steam. The …

Engineering Icephobic Coatings: Surface Characterization Of Pt Cured Silicones, Sithara Shylaja Nair

Theses and Dissertations

Ice buildup on structures leads to problems that include reduced performance, structural damage and power outages. It is therefore important to limit the energy required for removal of ice from substrates to minimize buildup. Understanding the mechanism of ice adhesion and its dependence on variables like coating thickness, stiffness, surface free energy and morphology is critical for minimizing adhesion. Despite several developments in “icephobic” coatings, which are those that have low ice adhesion, it is important to understand adhesion on the fundamental level to make way for advanced coatings. To do so, a study has been carried out that explores …

Preparation And Application Of Catalysts For The Stereospecific Reduction And Photooxygenation Of Olefins In Continuous Operations: A Novel Method For The Production Of Artemisinin, Daniel C. Fisher

Theses and Dissertations

Over the last two centuries, the discovery and application of catalysts has had a substantial impact on how and what chemicals are produced.Given their broad significance, our group has focused on developing new catalyst systems that are recoverable and reusable, in an attempt to reduce concomitant costs.

Our efforts have centered on constructing a recyclable chiral heterogeneous catalyst capable of effecting asymmetric hydrogenations of olefins with high stereoselectivity. A class of phosphinoimidazoline ligands, developed by researchers at Boehringer-Ingelheim, known as BIPI ligands, have proven efficacious in the asymmetric reduction of alkenes. However, these chiral ligands are homogeneous and coordinated to …

Nanoemulsions Within Liposomes For Cytosolic Drug Delivery To Multidrug-Resistant Cancer Cells, Jacob Brian Williams

Theses and Dissertations

Cancer cells that survive chemotherapy treatment often develop resistance to the administered chemotherapeutics, as well as to many other types of drugs, because the cancer cells increase their production of efflux pumps in the cell. This undesired phenomenon of resistance to cancer drugs is known as multidrug resistance. This work uses a novel drug carrier, called an eLiposome, to achieve cytosolic drug delivery to kill multidrug-resistant cancer cells. An eLiposome consists of a perfluoropentane (PFC5) emulsion droplet inside of a liposome. Folate attached to the eLiposome facilitates uptake into the cell. The PFC5 droplet is metastable at body temperature, but …

How A Systematic Approach To Uncertainty Quantification Renders Molecular Simulation A Quantitative Tool In Predicting The Critical Constants For Large N-Alkanes, Richard Alma Messerly

Theses and Dissertations

Accurate thermophysical property data are crucial for designing efficient chemical processes. For this reason, the Design Institute for Physical Properties (DIPPR 801) provides evaluated experimental data and prediction of various thermophysical properties. The critical temperature (T_c), critical density (ρ_c), critical pressure (P_c), critical compressibility factor (Z_c), and normal boiling point (T_b) are important constants to check for thermodynamic consistency and to estimate other properties. The n-alkane family is of primary interest because it is generally assumed that other families of compounds behave similarly to …

Effects Of Tethering Placement And Linker Variations On Antibody Stability On Surfaces, Rebecca Ellen Grawe

Theses and Dissertations

An antibody microarray consists of antibody bound to a surface. Antibody microarrays have great potential in many fields, particularly as a tool to detect antigens. Unfortunately, antibodies suffer from poor performance. A greater understanding of how antibodies interact with surfaces would improve microarray design and performance, but experimental methods fall short of being able to observe these interactions. Therefore molecular simulation has emerged as the primary method to study protein/surface interactions.The simulations here were coarse grain simulations performed using the model of Karanicolas and Brooks. Additionally, an advanced surface model was used that allows for different surface chemistries. PyMBAR analysis …

Ultrathin Microporous Metal Oxide Coatings: Preparation By Molecular Layer Deposition, Characterization And Application, Zhuonan Song

Theses and Dissertations

Molecular layer deposition (MLD), a gas phase deposition technique, was applied to deposit conformal organic-inorganic hybrid coatings by conducting a series of sequential, self-limiting surface reactions on substrates with exquisite thickness control at the sub-nanometer level. Obtained organic-inorganic hybrid coatings can subsequently be converted into porous coatings by removing the organic compound. Potential of functional coatings and membranes prepared by MLD was explored for applications from adsorptive separation, water purification, to gas storage.

We demonstrated a new concept, pore misalignment, to continuously fine tune the molecular-sieving “gate” of 5A zeolite by adjusting the external porous Al2O3 MLD coating thickness. For …

Development Of Highly Active And Stable Compressive Pt Cathode Catalysts For Polymer Electrolyte Membrane Fuel Cells, Taekeun Kim

Theses and Dissertations

With the limited fossil fuel reserve and increased power demand, polymer electrolyte membrane fuel cells (PEMFC) have been considered to be a promising alternative to the current energy consumption mode due to its high energy conversion, high efficiency, and zero emissions. However, high cost, poor stability, and sluggish kinetic for oxygen reduction reaction (ORR) of Pt/C cathode catalysts are obstacles for the commercialization of PEMFC for automotive application. The observed poor stability is attributed to a corrosion of carbon supports due to low pH, high temperature, and high anodic potentials (1.0-1.5 V) at the cathode interface during start-up/shutdown conditions. Electrochemical …

Pvdf Membranes With Stable, Ultrathin Graphene Oxide (Go) Functional Coatings For Antifouling Oil/Water Separation Under Cross-Flow Condition, Lei Wang

Theses and Dissertations

Oil/water separation plays an important role in industrial wastewater treatment and environment protection. For the treatment of oily wastewater, especially for removing oil droplets with sizes in the micrometer range, ultrafiltration (UF) membrane technology is considered the most efficient method due to its high separation efficiency and relatively simple operational process. However, caused by the deposition of the oil droplets onto the membrane surface and into the membrane pores, the fouling of UF membranes shortens their service time and degrades their separation performance in practical applications.

In this work, graphene oxide (GO) was utilized as a novel coating material to …

Adsorption Reversibility Of So2, No2, And No On 13x And 5a Zeolites, Peter Fairchild

Theses and Dissertations

The adsorption reversibility of gasses that are typically found in flue gas for coal based power plants, such as SO2, NO2, and NO, onto 13X and 5A zeolites was presently investigated. The four individual gas mixtures containing these species consisted of 74 ppm NO (balance He), 74 ppm NO2 (balance He), 42 ppm SO2 (balance He), and 500 ppm SO2 (balance N2), which were also consistent with the values that are found in flue gas. Another gas, 15.03 mol% CO2 (balance N2), was also used in this work to evaluate the role of exposing SO2 to the zeolite on their …

Development Of Pressure Swing Adsorption (Psa) Processor Co2 Capture From Flue Gas, Md. Atikur Rahman

Theses and Dissertations

Reducing the anthropogenic CO2 emissions and lowering the concentration of greenhouse gases in the atmosphere has become one of the most important environmental issues of recent times. To this end, the development of a cost effective pressure swing adsorption (PSA) process, utilizing commercially available 13X zeolite as the adsorbent, is underway to remove and concentrate CO2 in the flue gas of a coal-fired power plant. This systematic development effort has been carried out so far at the bench scale. It has included the following studies that defined and validated this PSA process both experimentally and via a PSA process model. …

Characterization, Synthesis And Stabilization Of Au Based Bimetallic Catalysis For The Hydrochlorination Of Acetylene, Kerry Charles O'Connell

Theses and Dissertations

Polyvinyl chloride (PVC) is the third most-produced plastic polymer world-wide by volume after polypropylene and polyethylene. Vinyl chloride monomer, which is polymerized into PVC, is produced via mercuric chloride catalysts that deactivate as mercury sublimes into the atmosphere from the catalyst surface, resulting in substantial environmental concerns.

In an effort to rationally synthesize non-mercuric catalysts, strong electrostatic adsorption (SEA) was used to prepare highly dispersed and active gold nanoparticles over low point of zero charge (PZC) carbon to increase the active metal surface area. The use of <1.5nm gold clusters did not lead to large increases in activity as there was an increased degree of particle coalescence during reaction for activated carbon supported samples. A pronounced support effect was observed in which oxide supports completely prevented Au sintering, but was virtually inactive. This suggests that the active site for the hydrochlorination reaction involves the carbon surface.

The stabilization of carbon supported gold nanoparticles in the HCl-rich reaction environment was …

Polyphenols As Natural, Dual-Action Therapeutics For Alzheimer's Disease, Kayla M. Pate

Theses and Dissertations

Alzheimer’s disease (AD), the most common form of dementia, is characterized by extracellular plaques in the brain created when monomeric amyloid-β (Aβ) protein aggregates into fibrillar structures. Soluble Aβ aggregates, including oligomers, that form along the reaction pathway are believed to be the primary pathogenic species and have been shown to increase the production of reactive oxygen species (ROS). This upregulation of ROS is one suggested contributing factor of Aβ aggregate cytotoxicity and has proven capable of mediating cell signaling associated with Aβ aggregate-induced cellular responses.

Polyphenols have been suggested as a complimentary AD therapeutic based on epidemiological evidence that …

Thermal And Convective Loading Methods For Releasing Hydrophobic Therapeutics From Contact Lenses, Ryan Ruben Horne

Theses and Dissertations

This thesis investigates the feasibility of loading silicone hydrogel (SiHy) contact lenses with two different hydrophobic therapeutics, latanoprost and DMPC (1,2-dimyristoyl-sn-glycero-3-phosphocholine), for treatment of glaucoma and hyperemia respectively. The two methods of loading were 1) thermal loading in an aqueous medium and 2) convective loading in a solution of n-propanol. Dailies Total1® lenses prepared in this manner were tested for their loading and their release into artificial tears. Continuous release over 1-4 days at therapeutic levels is achievable from thermal loading of DMPC, convective loading of DMPC, and convective loading of latanoprost. The DMPC loading processes can be naturally integrated …

Dynamic Liquefied Natural Gas (Lng) Processing With Energy Storage Applications, Farhad Fazlollahi

Theses and Dissertations

The cryogenic carbon capture™ (CCC) process provides energy- and cost-efficient carbon capture and can be configured to provide an energy storage system using an open-loop natural gas (NG) refrigeration system, which is called energy storing cryogenic carbon capture (CCC-ES™). This investigation focuses on the transient operation and especially on the dynamic response of this energy storage system and explores its efficiency, effectiveness, design, and operation. This investigation included four tasks.The first task explores the steady-state design of four different natural gas liquefaction processes simulated by Aspen HYSYS. These processes differ from traditional LNG process in that the CCC process vaporizes …

Nerve Regeneration Using Lysophosphatidylcholine And Nerve Growth Factor, Ryan Lavar Wood

Theses and Dissertations

Peripheral nerve damage affects hundreds of thousands of people every year. This study tested the effectiveness of using lysophosphatidylcholine (LPC) in combination with nerve growth factor (NGF) to increase the healing rate of damaged left sciatic nerves in female rats. The rats were randomly divided into eight groups: Sham, Right Sciatic, Crush, LPC, LPC-NGF, Crush- LPC, Crush-NGF, and Crush-LPC-NGF. The healing of the nerves was measured by monitoring gait, electrophysiological parameters (compound muscle action potential amplitudes and nerve conductance velocities) and morphological parameters (total fascicular area, total myelinated fiber counts, fiber densities, fiber diameters, and g-ratio). Gait and electrophysiological parameters …

Developing Modeling, Optimization, And Advanced Process Control Frameworks For Improving The Performance Of Transient Energy-Intensive Applications, Seyed Mostafa Safdarnejad

Theses and Dissertations

The increasing trend of world-wide energy consumption emphasizes the importance of ongoing optimization of new and existing technologies. In this dissertation, two energy–intensive systems are simulated and optimized. Advanced estimation, optimization, and control techniques such as a moving horizon estimator and a model predictive controller are developed to enhance the profitability, product quality, and reliability of the systems. An enabling development is presented for the solution of complex dynamic optimization problems. The strategy involves an initialization approach to large–scale system models that both enhance the computational performance as well as the ability of the solver to converge to an optimal …

An Analysis Of Capital Cost Estimation Techniques For Chemical Processing, Omar Joel Symister

Theses and Dissertations

This research serves to compare the use of the capital cost estimation software, Aspen Capital Cost Estimator (ACCE), with other capital cost estimating methods specifically the module costing technique outlined by Richard Turton et al. and also a factorial costing technique outlined by Gavin Towler and Ray Sinnott. This study will compare popular process equipment found in the chemical process industries. The relationship between the capacities of the equipment, as it relates to the cost as well as operational pressures and materials of construction (MOC), will also be obtained and compared. The results of this study may be used by …

Mitigating Transients And Azeotropes During Natural Gas Processing, Edris Ebrahimzadeh

Theses and Dissertations

Cryogenic carbon capture process can be used to efficiently eliminate CO2 emissions from fossil-fueled power plants. The energy-storing embodiment of cryogenic carbon capture (ES-CCC) integrates energy storage with cryogenic carbon capture and uses natural gas as a refrigerant. ES-CCC captures CO2 from slowly varying or steady-state sources even as it absorbs and replaces large amounts of energy on the grid for energy storage. These large transients occur in the LNG generation as the process moves through energy storing to energy recovery operations. Additionally, raw natural gas often includes CO2 that forms an azeotrope with ethane. Breaking this azeotrope and separating …