Chemical Engineering Commons^™

Smart Fabrics For Colorimetric Detection, Breland Edwards

Undergraduate Research Posters

Due to the prevalence of chemical warfare, soldiers often carry chemical sensing devices, to warn of oncoming nerve agents. However, these devices are cumbersome. A lightweight, wearable chemical sensing fabric that doubles as a protectant against toxins would be beneficial. This fabric can be created by incorporating (1) organophosphate hydrolase, an enzyme capable of degrading organophosphates and releasing an acidic by product, and (2) polyaniline, a color changing polymer that changes from purple to green in the presence of acid, into nylon or polyvinyl alcohol nanofibers. The first step is to produce fabrics containing polyaniline and demonstrate that the fabrics …

A Petrophysical Evaluation For Permeability Of A Gas Reservoir In The Taranaki Basin, New Zealand, Musa Cetin

Dissertations, Master's Theses and Master's Reports

The goal of this study was to evaluate permeability and study the controls on permeability in a gas saturated formation. Conventional well logs, mineral identification crossplots and empirical models were applied to analyze different lithologic and diagenetic features and to examine the effect that these features may have on the reservoir. An unusual feature was observed, and required detailed examination: there existed (in two wells) five zones of lower resistivity (higher water saturation) above the gas-water contact. This is unexpected, as above that contact, the water is usually at irreducible water saturation. I conclude that the lower resistivity (the higher …

Experimental And Theoretical Investigation Of Sustainable Fast Pyrolysis Biofuels From Woody Biomass, Bethany Jean Klemetsrud

Dissertations, Master's Theses and Master's Reports

Biofuels are an important advancement in alternative energy that can provide substantial environmental benefits compared to their conventional fossil fuel counterparts Said benefits are usually measured using life cycle assessments. However, it is not well understood yet how different methodological choices such as system boundaries, biomass feedstocks, conversion pathways, geographical data, etc. affect the conclusions drawn from biofuels LCA. This research shows large variability in life cycle assessment results and limits comparison across different biofuel pathways due to methodological choices set forth by policy and certification schemes. Advanced biofuels have not reached large scale production due to a limited understanding …

Purification And Recovery Of Infectious Virus Particles Using Osmolyte Flocculation, Ashish Saksule

Dissertations, Master's Theses and Master's Reports

Viral infectious diseases cause millions of deaths and severe illness all around the world affecting public health and economics. Viral vaccines are helping to fight against viral diseases, but current vaccines are expensive and unavailable, especially in poor and developing countries. When measuring the entire manufacturing processing, the downstream processing of vaccines is the major cost of production. Our goal for this research is to develop a low-cost alternative downstream processing platform for new vaccine manufacturing infrastructures. We have developed a novel osmolyte flocculation method for viral particles. To create a platform purification for several types of viral particles, we …

Bioactive Poly(Beta-Amino Ester) Biomaterials For Treatment Of Infection And Oxidative Stress, Andrew L. Lakes

Theses and Dissertations--Chemical and Materials Engineering

Polymers have deep roots as drug delivery tools, and are widely used in clinical to private settings. Currently, however, numerous traditional therapies exist which may be improved through use of polymeric biomaterials. Through our work with infectious and oxidative stress disease prevention and treatment, we aimed to develop application driven, enhanced therapies utilizing new classes of polymers synthesized in-house. Applying biodegradable poly(β-amino ester) (PBAE) polymers, covalent-addition of bioactive substrates to these PBAEs avoided certain pitfalls of free-loaded and non-degradable drug delivery systems. Further, through variation of polymer ingredients and conditions, we were able to tune degradation rates, release profiles, cellular …

Synthesis And Characterization Of Antioxidant Conjugated Poly(Βeta-Amino Ester) Micro/Nanogels For The Suppression Of Oxidative Stress, Prachi Gupta

Theses and Dissertations--Chemical and Materials Engineering

Oxidative stress is a pathophysiological condition defined by an increased production of reactive oxygen species (ROS), which can result in the growth arrest of cells followed by cell disintegration or necrosis. A number of small molecule antioxidants (e.g. curcumin, quercetin and resveratrol) are capable of directly scavenging ROS, thereby short-circuiting the self-propagating oxidative stress state. However, poor solubility and rapid 1^st pass metabolism results in overall low bioavailability and acts as a barrier for its use as a drug to suppress oxidative stress efficiently.

To overcome this limitation, these small molecule antioxidants were covalently conjugated into poly(β-amino ester) (PβAE) …

Peptide-Functionalized Magnetic Nanoparticles For Cancer Therapy Applications, Anastasia K. Hauser

Theses and Dissertations--Chemical and Materials Engineering

Lung cancer is one of the leading causes of cancer deaths in the United States. Radiation and chemotherapy are conventional treatments, but they result in serious side effects and the probability of tumor recurrence remains high. Therefore, there is an increasing need to enhance the efficacy of conventional treatments. Magnetic nanoparticles have been previously studied for a variety of applications such as magnetic resonance imaging contrast agents, anemia treatment, magnetic cell sorting and magnetically mediated hyperthermia (MMH). In this work, dextran coated iron oxide nanoparticles were developed and functionalized with peptides to target the nanoparticles to either the extracellular matrix …

Design Of Highly Stable Low-Density Self-Assembled Monolayers Using Thiol-Yne Click Reaction For The Study Of Protein-Surface Interactions, Leila Safazadeh Haghighi

Theses and Dissertations--Chemical and Materials Engineering

Protein adsorption on solid surfaces is a common yet complicated phenomenon that is not fully understood. Self-assembled monolayers have been utilized in many studies, as well-defined model systems for studying protein-surface interactions in the atomic level. Various strategies, including the use of single component SAMs[1, 2], combinations of long and short alkanethiolates with methyl- and hydroxyl- terminal groups[3, 4], and using mixtures of alkanethiolates with similar chain length and varying terminal functional group [5] have been used to effectively control the surface wettability and determine the effect of surface composition and wettability on protein adsorption. In this dissertation we report …

Synthesis Of Titania Thin Films With Controlled Mesopore Orientation: Nanostructure For Energy Conversion And Storage, Suraj R. Nagpure

Theses and Dissertations--Chemical and Materials Engineering

This dissertation addresses the synthesis mechanism of mesoporous titania thin films with 2D Hexagonal Close Packed (HCP) cylindrical nanopores by an evaporation-induced self-assembly (EISA) method with Pluronic surfactants P123 and F127 as structure directing agents, and their applications in photovoltaics and lithium ion batteries. To provide orthogonal alignment of the pores, surface modification of substrates with crosslinked surfactant has been used to provide a chemically neutral surface. GISAXS studies show not only that aging at 4°C facilitates ordered mesostructure development, but also that aging at this temperature helps to provide orthogonal orientation of the cylindrical micelles which assemble into an …

Modeling Of Rheological Properties For Entangled Polymer Systems, Nilanjana Banerjee

Doctoral Dissertations

"The study of entangled polymer rheology both in the field of medicine and polymer processing has their major importance. Mechanical properties of biomolecules are studied in order to better understand cellular behavior. Similarly, industrial processing of polymers needs thorough understanding of rheology so as to improve process techniques. Work in this dissertation has been organized into three major sections. Firstly, numerical/analytical models are reviewed for describing rheological properties and mechanical behaviors of cytoskeleton. The cytoskeleton models are classified into categories according to the length scales of the phenomena of interest. The main principles and characteristics of each model are summarized …

Scale-Up Investigation And Hydrodynamics Study Of Gas-Solid Fluidized Bed Reactor Using Advanced Non-Invasive Measurement Techniques, Abdelsalam Efhaima

Doctoral Dissertations

"This research focuses on validating our newly developed mechanistic scale-up methodology for hydrodynamics similarity of gas-solid fluidized bed reactors (FBRs) by implementing our advanced non-invasive measurement techniques which are gamma ray computed tomography (CT) and radioactive particle tracking (RPT) that measure local hydrodynamic parameters. Experiments were carried out in two fluidized beds of 14 cm and 44 cm in diameter using air as the gas phase and particles of different materials. Since in these reactors the gas dynamic dictates the bed hydrodynamics, the new mechanistic scale-up methodology is based on maintaining similar or closer time averaged radial profiles of gas …

Study Of Heat Transfer Phenomenon During Natural Convection, Muhammad Yousaf

Doctoral Dissertations

"The purpose of the present study was to numerically investigate the effects of the roughness elements on the heat transfer during natural convection. A computational algorithm was developed based on the Lattice Boltzmann method to conduct numerical study in two-dimensional rectangular cavities and Rayleigh-Bénard cell. A single relaxation time Bhatnagar-Gross-Krook model of Lattice Boltzmann method was used to solve the coupled momentum and energy equations in two-dimensional lattices. Computational model was validated against previous benchmark solutions, and a good agreement was found to exist. A Newtonian fluid of Prandtl (Pr) number 1.0 was considered for this numerical study. The range …

Modeling Gas Inflow For Extremely Low Permeability Shale Using Cfd, Chatetha Chumkratoke

Doctoral Dissertations

"Computational fluid dynamics (CFD) has been used to model 2-D well inflow over a range of permeabilities to study the impact of various well completion strategies (Augustine, 2011). Augustine's 2-D model was subsequently extended for 3-D flow by Thepporprapakorn (2013), for gas flow in the permeability range of tight gas (0.01 mD).

This work presents a 3-D CFD model of gas inflow valid for extremely low ranges of permeability (0.00001 mD). In extremely low permeability, gas flow is complex and includes flow from fractures, flow through porous media, and diffusive gas transport. Diffusive gas transport is important when strong density …

Modeling Explosive Lensing On A Cylindrical Body In Air: A First Step Towards Sealing An Underwater Offshore Oil Spill, Phillip R. Mulligan

Doctoral Dissertations

"In 2010, the British Petroleum (BP) Deepwater Horizon accident leaked oil into the Gulf of Mexico for 87 days. A fast response method that can seal an oil pipe and stop the release of oil is needed in order to prevent future oil leaks from turning into ecological and financial disasters. Explosives can serve this need.

This research examined how a circular implosive discontinuous explosive lens interacts with a cylindrical surface. The following research was designed to study the applicability of the Method this author developed to predict the peak pressure from multiple shockwaves converging on a centrally located cylinder. …

Development And Evaluation Of A Coaxial Cable Sensing System For Co₂ Sequestration Wellbore Integrity Monitoring, Yurong Li

Doctoral Dissertations

"Downhole monitoring plays a crucial part in geological carbon dioxide (₂) sequestration. Various downhole monitoring technologies have been explored and applied, but they are either expensive or have system longevity issues. To address this issue, a robust and cost-effective downhole sensing system based on distributed coaxial cable sensors is developed and evaluated in laboratory, and a numerical simulation with staged finite element model is conducted to study the feasibility of using the coaxial cable sensing system for monitoring and evaluation of wellbore stability during CO₂ injection.

The real-time distributed sensing system is composed of Fabry-Perot interferometer based …

Analysis And Mitigation Of Wellbore Breakout And Fracturing, Reza Rahimi

Doctoral Dissertations

"Mechanical wellbore integrity problems while drilling are mainly due to wellbore shear failure or tensile failure. To ensure wellbore integrity, breakout and fracture geomechanical analysis is conducted to estimate minimum and maximum drilling fluid densities. Currently, there is no agreement as to which rock failure criterion to use for estimating breakout or fracture criteria to use for analyzing drilling induced fractures. However, when wellbore integrity issues arise while drilling, mitigation strategies can be applied to rectify these problems.

This dissertation analyzes criteria for wellbore breakout and fracturing. Also, mitigation strategies for breakout and fracturing while drilling were experimentally investigated. Thirteen …

Modeling And Evaluation Of Moisture Diffusion In Polymer Composite Materials, Zhen Huo

Doctoral Dissertations

"Fiber-reinforced polymer composites have extensive applications due to their high specific strength, improved product performance, low maintenance and design flexibility. However, moisture absorbed by polymer composites during the service life plays a detrimental role in both the integrity and durability of composite structure. It is essential to understand the moisture diffusion behavior and induced damage in polymer matrix composites under varying hygrothermal conditions. In Part I, the moisture diffusion characteristics in hybrid composites using moisture concentration-dependent diffusion method have been investigated. Also, a multi-stage diffusion model was proposed to explain the deviation of moisture diffusion behavior for sandwich composites from …

Nanostructured Materials Prepared By Atomic Layer Deposition For Catalysis And Lithium-Ion Battery Applications, Rajankumar Patel

Doctoral Dissertations

"Atomic/molecular layer deposition (ALD/MLD) has emerged as an important technique for depositing thin films in both scientific research and industrial applications. In this dissertation, ALD/MLD was used to create novel nanostructures for two different applications, catalysis and lithium-ion batteries.

MLD was used to prepare ultra-thin dense hybrid organic/inorganic polymer films. Oxidizing the hybrid films removed the organic components and produced the desired nanoporous films. Both porous alumina and titania films can be prepared by such a way. A novel nanostructured catalyst (Pt/SiO₂) with an ultra-thin porous alumina shell obtained from the thermal decomposition of an aluminium alkoxide film …

Design And Analysis Of Geothermal Wellbore Energy Conversion System Working On Zero Mass Withdrawal Principle, Ildar Akhmadullin

LSU Doctoral Dissertations

This project is sponsored by the Department of Energy of the United States and dedicated to development of electricity production from the low-enthalpy geothermal reservoirs. The prime interest are reservoirs that are characterized by low temperature of heat source located in deep saline aquifers with high permeable rock. Usually energy production from these resources are not economical by using a conventional binary power plant approach. The presented PhD work is a study of a new system that utilizes a single-well technology and working on supercritical power cycle (PC). The wellbore energy conversion system is operating with Zero Mass Withdrawal (ZMW) …

Solving Atomic Structures Using Statistical Mechanical Searches On X-Ray Scattering Derived Potential Energy Surfaces, Christopher James Wright

Theses and Dissertations

Engineering the next generation of materials, especially nanomaterials, requires a detailed understanding of the material’s underlying atomic structure. These structures give us better insight into structure-property relationships, allowing for property driven material design on the atomic level. Even more importantly, understanding structures in-situ will translate stimuli and responses on the macroscopic scale to changes on the nanoscale. Despite the importance of precise atomic structures for materials design, solving atomic structures is difficult both experimentally and computationally. Atomic pair distribution functions (PDFs) provide information on atomic structure, but the difficulty of extracting the PDF from x-ray total scattering measurements limits their …

Uncertainty Quantification In Computational Catalysis, Eric Alan Walker

Theses and Dissertations

This dissertation augments the field of computational catalysis with uncertainty quantification. An efficient tool to describe the energetics and structure of atomistic systems is density functional theory (DFT). DFT may be used to understand how catalysts work although DFT is inexact in nature due to approximations necessary for computational tractability. These approximations in DFT cause uncertainty in microkinetic model results for catalytic systems. Therefore, reliable model results gained from DFT include a quantification of uncertainty. The case study to examine a systematic framework for uncertainty quantification is water-gas shift (WGS CO+H2O⇌CO2+H2) reaction by Pt/TiO2 catalyst.

Uncertainties are represented with probabilities …

Methane Separation And Purification Via Pressure Swing Adsorption, Lutfi Erden

Theses and Dissertations

Investigations on alternative energy sources have gained increasing attention due to significant shortage in the fossil fuel reserves and increase on the usage of internal combustion engines. Natural gas which mainly consists of Methane has a significant role in short term solution of this issue. Although methane as a greenhouse gas is over 20 times more potent by weight than carbon dioxide, if released directly into the atmosphere, it is a valuable energy source. However, methane is not extracted % 100 pure from the source. Natural gas generally contains many other contaminants such as water, other hydrocarbons, Carbon dioxide, Nitrogen, …

Synthesis Of Well Dispersed Supported Metal Catalysts By Strong Electrostatic Adsorption And Electroless Deposition, John Meynard Macasero Tengco

Theses and Dissertations

Enhancing the catalytic performance of heterogeneous catalysts can be done by increasing active site count as well as modification of the physico-chemical characteristics of the catalyst material. For supported metal nanoparticles this can be achieved by decreasing particle size, thus increasing dispersion or metal utilization on the surface of the particles, while modification of metal properties can be attained by addition of a secondary metal that has a strong interaction to the primary metal, beneficial for a given reaction. In addition, the accessibility of the metal surface is necessary for reliable performance of catalysts. For carbon supported catalysts, Temperature Programmed …

Development Of A Pressure Swing Adsorption (Psa) Cycle For Co2 Capture From Flue Gas Using A 4-Bed Psa Apparatus, Joshua White

Theses and Dissertations

Pressure swing adsorption is an effective way to capture CO2 from flue gases in energy plants. Pressure swing adsorption utilizes an adsorbent’s selectivity to a specific compound to remove it from a feed stream. Zeolite 13X was used for this research to obtain a high purity and recovery of CO2 at a higher feed flow than previous research. The first part of the work was to use in house FORTRAN based Dynamic Adsorption Process Simulator (DAPS) that uses the finite difference method and the time adaptive Differential- Algebraic Equation (DAE) solver called DASPK to narrow down appropriate experiment criteria for …

Rational Design And Synthesis Of Pt/Silica-Alumina Metal-Acid Bifunctional Catalysts, Jadid Ettaz Samad

Theses and Dissertations

In the domain of rational catalyst design and synthesis, Strong Electrostatic Adsorption (SEA) has been applied with tremendous potential and use. In this study, SEA method has been advanced to thick slurries as well as to mixed oxide systems with a view to synthesizing stable, active and selective catalysts fine-tuned for specific applications.

The main objective was to synthesize metal-acid bifunctional catalysts with controlled ratio and proximity between metal and acid sites in order to analyze their effects on a bifunctional reaction. At first, the difference in charging behavior of silica and alumina in solution was used to selectively deposit …

Rational Synthesis To Optimize Ruthenium-Based Biomass Conversion Catalysts, Shuo Cao

Theses and Dissertations

With worldwide petroleum resources dwindling and greenhouse gas emissions rising, it is urgent to find renewable replacements for petroleum-derived products. A biomass-derived chemical with high potential as a platform intermediate, γ-valerolactone (GVL) can be readily synthesized by hydrogenation of levulinic acid (LA), itself a common biomass intermediate, using supported Ru catalysts. Overall, vapor phase hydrogenation is more energy sensitive as the higher boiling point of LA (~245°C) and requires a high energy input, comparable to liquid phase hydrogenation, which is more economical. To date the literature on many novel biomass conversion processes such as the hydrogenation of LA to GVL …

Design, Fabrication, Operation And Aspen Simulation Of Oil Shale Pyrolysis And Biomass Gasification Process Using A Moving Bed Downdraft Reactor, Hassan Golpour

Doctoral Dissertations

"Energy is the major facilitator of the modern life. Every developed and developing economy requires access to advanced sources of energy to support its growth and prosperity. Declining worldwide crude oil reserves and increasing energy needs has focused attention on developing existing unconventional fossil fuels like oil shale and renewable resources such as biomass. Sustainable, renewable and reliable resources of domestically produced biomass comparing to wind and solar energy is a sensible motivation to establish a small-scale power plant using biomass as feed to supply electricity demand and heat for rural development. The work in Paper I focuses on the …

การแตกสลายสีย้อมโดยใช้ไทเทเนียมไดออกไซด์ภายใต้การส่องสว่างด้วยแสงอาทิตย์, สุนิติ ไทยเจียมอารีย์

Chulalongkorn University Theses and Dissertations (Chula ETD)

งานวิจัยนี้มีวัตถุประสงค์เพื่อศึกษาอิทธิพลของตัวแปรต่างๆและหาภาวะที่เหมาะสมต่อประสิทธิภาพการแตกสลายสีย้อมรีแอคทีฟเรด 120 (RR120) ผ่านกระบวนการเร่งปฏิกิริยาเชิงแสงบนตัวเร่งปฏิกิริยาไทเทเนียมไดออกไซด์เชิงพาณิชย์ (Com TiO2) ตัวเร่งปฏิกิริยาไทเทเนียมไดออกไซด์สังเคราะห์ (Syn TiO2) และตัวเร่งปฏิกิริยาไทเทเนียมไดออกไซด์สังเคราะห์เจือไนโตรเจน (N-TiO2) ภายใต้การส่องสว่างด้วยแสงอาทิตย์ โดยตัวแปรที่ศึกษา ได้แก่ ระยะเวลาการฉายแสง ชนิดตัวเร่งปฏิกิริยาไทเทเนียมไดออกไซด์ แหล่งไนโตรเจน ปริมาณไนโตรเจน ปริมาณตัวเร่งปฏิกิริยา ความเข้มข้นเริ่มต้นของสีย้อมรีแอคทีฟเรด 120 และค่าความเป็นกรดด่าง จากผลการทดลองพบว่าภายใต้การฉายแสงอาทิตย์นั้นตัวเร่งปฏิกิริยาไทเทเนียมไดออกไซด์เชิงพาณิชย์ไม่สามารถแตกสลายสีย้อมได้ ในขณะที่ตัวเร่งปฏิกิริยาไทเทเนียมไดออกไซด์สังเคราะห์และตัวเร่งปฏิกิริยาไทเทเนียมไดออกไซด์สังเคราะห์เจือไนโตรเจนร้อยละ 10 โดยน้ำหนัก สามารถแตกสลายสีย้อมได้ แต่จะพบว่าตัวเร่งปฏิกิริยาไทเทเนียมไดออกไซด์สังเคราะห์เจือไนโตรเจนด้วยกัวนิดีน คาร์บอเนต ร้อยละ 10 โดยน้ำหนัก มีประสิทธิภาพในการแตกสลายสีย้อมได้ดีในทุกภายใต้การฉายแสง ที่ปริมาณตัวเร่งปฏิกิริยาเท่ากับ 5 กรัม สารละลายสี 1 ลิตรที่ความเข้มข้นเริ่มต้น เท่ากับ 100 มิลลิกรัมต่อลิตร และค่าความเป็นกรดด่างเท่ากับ 3 จากนั้นทำการศึกษาแบบจำลองจลนพลศาสตร์ของกระบวนการเร่งปฏิกิริยาเชิงแสงพบว่าสอดคล้องกับแบบจำลองแลงเมียร์-ฮินเชลวูด (Langmuir-Hinshelwood model) โดยแบบจำลองนี้สามารถอธิบายรูปแบบการเกิดปฏิกิริยาได้เป็นสองกระบวนการจากสองค่าคงที่ คือ ค่าคงที่การดูดติด (KLH) และค่าคงที่อัตราการเกิดปฏิกิริยา (kLH)

A Practical Guide To Chemical Process Optimization: Analysis Of A Styrene Plant, Fleur Phelps

Honors Theses

This report acts as a beginner's guide to chemical processes optimization. Performed universally, optimization merely entails improving an existing process, situation, device or system. For a chemical engineer, optimization typically aims to maximize potential economics of a chemical process by manipulating decision variables while staying within known constraints. In order to maximize the overall economics of a chemical process, individual equipment or stream conditions are examined. The chemical process is implemented in simulation software The optimization of individual components of the process may aim to maximize or minimize an outcome specific to that component, but still ultimately maximizes economic potential. …

G-Quadruplex Mediated Splicing Of P53 Mrna, Melissa Holy

Honors Theses

The protein p53 is a master regulator of the cell cycle and its mutation/inactivation is associated with over 50% of cancer cases. Mutations in p53 are associated with worse survival rates, resistance to therapies, and other risk factors in breast cancer specifically. p53 is encoded by the TP53 gene and is expressed as several transcripts. In the G-rich portion of intron 3, secondary DNA structures known as G-quadruplexes are able to form. The stabilization of these G-quadruplexes leads to correct splicing of intron 2, thus making a functional p53 protein. A known quadruplex-stabilizing compound (TMPyP4) was tested to determine its …