Chemical Engineering Commons^™

Fabrication And Impedance Performance Of Gradient Lani0.6Fe0.4O3-δ-Gd0.2Ce0.8O2 Composite Cathodes For Intermediate Temperature Solid Oxide Fuel Cell, Yang Li, Bo Huang, Meng Yuan, Zhi-Qiu Zhang, Zong-Yao Liu, Xu-Chen Tang, Xin-Jian Zhu

Journal of Electrochemistry

A LNF-GDC composite cathode with a gradual change in the composition between ScSZ electrolyte and LNF cathode was fabricated to reduce the cathode polarization resistance (R_p). The gradual change in composition between ScSZ electrolyte and LNF cathode shows the decreases in the charge transfer resistance (R_ct) and gas phase diffusion resistance (R_d). The results revealed that the Rp value, measuring 0.452 Ω·cm² at 750 °C, was the lowest for LNF-GDC composite cathodes with three layers and gradient changes in composition between ScSZ and LNF (Cathode C),, whereas the Rp value of 70%LNF-30%GDC composite …

In-Package Nonthermal Plasma Degradation Of Pesticides On Fresh Produce, N. Misra, Shashi Pankaj, Tony Walsh, Finbarr O'Regan, Paula Bourke, Patrick J. Cullen

Articles

In-package nonthermal plasma (NTP) technology is a novel technology for the decontamination of foods and biological materials. This study presents the first report on the potential of the technology for the degradation of pesticide residues. A cocktail of pesticides, namely Azoxystrobin, Cyprodinil, Fludioxonil and Pyriproxyfen was tested on strawberries. The concentrations of these pesticides were monitored in priori and post- plasma treatment using GC-MS/MS. An applied voltage and time dependent degradation of the pesticides was observed for treatment voltages of 60, 70 and 80 kV and treatment durations ranging from 1 to 5 min, followed by 24 h in-pack storage. …

Combining Monte Carlo Transport And Level Set Surface Evolution For Modeling Vapor Phase Deposition Of Thin Films Over Sub-Micron Features, John Lewis Smith

Graduate Theses - Chemical Engineering

A hybrid scheme is used to model the vapor phase deposition of thin films at the feature scale. The transport of the chemical species to the substrate surface is modeled with a Collisionless Direct Simulation Monte Carlo (DSMC) method. The Level Set Method is used to model the growth of the thin-film on the substrate. The convergence criteria for these methods were not found in literature.

The governing equations for the Level Set Method are, in general, non-linear partial differential equations. The coupling of the DSMC Method with the Level Set Method results in a set of non-Gaussian stochastic non-linear …

Analysis Of A Chemical Model System Leading To Chiral Symmetry Breaking: Implications For The Evolution Of Homochirality, Brandy N. Morneau, Jaclyn M. Kubala, Carl Barratt, Pauline Schwartz

Chemistry and Chemical Engineering Faculty Publications

Explaining the evolution of a predominantly homochiral environment on the early Earth remains an outstanding challenge in chemistry. We explore here the mathematical features of a simple chemical model system that simulates chiral symmetry breaking and amplification towards homochirality. The model simulates the reaction of a prochiral molecule to yield enantiomers via interaction with an achiral surface. Kinetically, the reactions and rate constants are chosen so as to treat the two enantiomeric forms symmetrically. The system, however, incorporates a mechanism whereby a random event might trigger chiral symmetry breaking and the formation of a dominant enantiomer; the non-linear dynamics of …

Predicting Propylene Loss With Inferential Model Development Using Design Of Experiments (Doe) And Historical Data, Jeffrey Allen Wheeler

Open Access Theses & Dissertations

Inferential models are a highly researched topic as the science of digital automation becomes more prevalent as information is in abundance. Welldeveloped inferred models can augment the use of analyzers in steady state processing and highly correlated ones can even replace online analytics. The use of design of experiments (DOE) inferred models with historical process data and a rigorous plant simulator can reduce the case study duration while achieving a high degree of accuracy. This paper uses surface response and full factorial models as the first step in model development, and then uses actual historical plant data to create a …

Degradable Nanocomposite Preformed Particle Gel For Chemical Enhanced Oil Recovery Applications, Paul Tongwa

Doctoral Dissertations

”This work presents two new materials that can be potentially used in conformance control to increase ultimate oil recovery from mature oilfields.

The first product is a degradable nanocomposite preformed particle gel for enhanced in-depth mobility control. Three different types of degradable nanocomposite preformed particle gels were synthesized. These three nanocomposite hydrogels were made using Laponite XLG, Calcium Montmorillonite, and Sodium Montmorillonite nanomaterials. It was observed that after degradation, Laponite XLG nanocomposite hydrogels had the highest post-degradation viscosity (4437 cp), followed by sodium nanocomposite hydrogels (129 cp), and lastly calcium nanocomposite hydrogels (75.5 cp). Thus, degradable Laponite XLG nanocomposite hydrogels …

Rheological Signatures In Limit Cycle Behaviour Of Dilute, Active, Polar Liquid Crystalline Polymers In Steady Shear, M. Gregory Forest, Panon Phuworawong, Qi Wang, Ruhai Zhou

Mathematics & Statistics Faculty Publications

We consider the dilute regime of active suspensions of liquid crystalline polymers (LCPs), addressing issues motivated by our kinetic model and simulations in Forest et al. (Forest et al. 2013 Soft Matter 9, 5207-5222 (doi:10.1039/c3sm27736d)). In particular, we report unsteady two-dimensional heterogeneous flow-orientation attractors for pusher nanorod swimmers at dilute concentrations where passive LCP equilibria are isotropic. These numerical limit cycles are analogous to longwave (homogeneous) tumbling and kayaking limit cycles and two-dimensional heterogeneous unsteady attractors of passive LCPs in weak imposed shear, yet these states arise exclusively at semi-dilute concentrations where stable equilibria are nematic. The results in Forest …

Quantification Of Factors Governing Drug Release Kinetics From Nanoparticles: A Combined Experimental And Mechanistic Modeling Approach, Kyle Daniel Fugit

Theses and Dissertations--Pharmacy

Advancements in nanoparticle drug delivery of anticancer agents require mathematical models capable of predicting in vivo formulation performance from in vitro characterization studies. Such models must identify and incorporate the physicochemical properties of the therapeutic agent and nanoparticle driving in vivo drug release. This work identifies these factors for two nanoparticle formulations of anticancer agents using an approach which develops mechanistic mathematical models in conjunction with experimental studies.

A non-sink ultrafiltration method was developed to monitor liposomal release kinetics of the anticancer agent topotecan. Mathematical modeling allowed simultaneous determination of drug permeability and interfacial binding to the bilayer from release …

Plasma Processes And Polymers Special Issue On: Plasma And Cancer, Mounir Laroussi, Michael Keidar

Electrical & Computer Engineering Faculty Publications

During the last two decades, research efforts on the application of low temperature plasmas in biology and medicine have positioned nonequilibrium lowtemperature plasmas as a technology that has the potential of revolutionizing healthcare.[1,2] Low temperature plasmas can be applied in direct contact with living tissues to inactivate bacteria,[3] to disinfect wounds and accelerate wound healing,[4] and to induce damage in some cancer cells.[5–11]

Electrocatalytic Processing Of Renewable Biomass-Derived Compounds For Production Of Chemicals, Fuels And Electricity, Le Xin

Dissertations, Master's Theses and Master's Reports - Open

The dual problems of sustaining the fast growth of human society and preserving the environment for future generations urge us to shift our focus from exploiting fossil oils to researching and developing more affordable, reliable and clean energy sources. Human beings had a long history that depended on meeting our energy demands with plant biomass, and the modern biorefinery technologies realize the effective conversion of biomass to production of transportation fuels, bulk and fine chemicals so to alleviate our reliance on fossil fuel resources of declining supply. With the aim of replacing as much non-renewable carbon from fossil oils with …

Time Lapse Seismic Observations And Effects Of Reservoir Compressibility At Teal South Oil Field, Nayyer Islam

Dissertations, Master's Theses and Master's Reports - Open

One of the original ocean-bottom time-lapse seismic studies was performed at the Teal South oil field in the Gulf of Mexico during the late 1990’s. This work reexamines some aspects of previous work using modern analysis techniques to provide improved quantitative interpretations. Using three-dimensional volume visualization of legacy data and the two phases of post-production time-lapse data, I provide additional insight into the fluid migration pathways and the pressure communication between different reservoirs, separated by faults. This work supports a conclusion from previous studies that production from one reservoir caused regional pressure decline that in turn resulted in liberation of …

Development Of Silicon-Based Anodes And In-Situ Characterization Techniques For Lithium Ion Batteries, Jinho Yang

Wayne State University Dissertations

Development of lithium ion batteries (LIBs) with higher capacity has been booming worldwide, as growing concerns about environmental issues and increasing petroleum costs. The demands for the LIBs include high energy and power densities, and better cyclic stability in order to meet a wide range of applications, such as portable devices and electric vehicles. Silicon has recently been explored as a promising anode material due to its low discharge potential (<0.4 V) and high specific capacity (4200 mAh g^-1). The capacity of silicon potentially exceeds more than 10 times of the conventional graphite anode (372 mAh g^-1). However, the silicon anode experiences huge volume …

Scale-Up And On-Line Monitoring Of Gas-Solid Systems Using Advanced And Non-Invasive Measurement Techniques, Muthanna H. Al-Dahhan, Shreekanta Aradhya, Faraj Zaid, Neven Ali, Thaar Aljuwaya

Chemical and Biochemical Engineering Faculty Research & Creative Works

Industry relies on gas-solid systems for numerous processes. Flow dynamics play an important role in achieving the desired results. The present study proposes, validates and demonstrates a novel mechanistic scale-up approach based on maintaining similar radial profile or cross sectional distribution of gas holdup in two different gas-solid systems in order to achieve hydrodynamics similarity using advanced measurement techniques. This new methodology for scale-up and design has been implemented on gas-solid spouted bed which has been used for drying, granulation and coating. The development can be extrapolated to other gas-solid systems encountered in phosphate processes.

Tuning The Underwater Oleophobicity Of Graphene Oxide Coatings Via Uv Irradiation, H. Li, Yi Huang, Y. Mao, W. Xu, Harry J. Ploehn, Miao Yu

Faculty Publications

Ultraviolet (UV) irradiation was utilized to gradually modify the chemistry and structure of graphene oxide (GO) flakes, as confirmed by XPS and AFM. Ultrathin GO coatings/membranes, made of UV-irradiated flakes, showed tunable underwater oleophobicity. UV-treated, superoleophobic GO membranes exhibited excellent antifouling capability for oil/water separation.

Enzyme Optimization For Lignocellulose Hydrolysis Using Mechanistic Modeling, Adam S. Marlowe

Dissertations, Master's Theses and Master's Reports - Open

A novel mechanistic model for the saccharification of cellulose and hemicellulose is utilized to predict the products of hydrolysis over a range of enzyme loadings and times. The mechanistic model considers the morphology of the substrate and the kinetics of enzymes to optimize enzyme concentrations for the enzymatic hydrolysis of cellulose and hemicellulose simultaneously. Substrates are modeled based on their fraction of accessible sites, glucan content, xylan content, and degree of polymerizations. This enzyme optimization model takes into account the kinetics of six core enzymes for lignocellulose hydrolysis: endoglucanase I (EG1), cellobiohydrolase I (CBH1), cellobiohydrolase II (CBH2), and endo-xylanase (EX) …

Characterizing And Improving Production Of Fermentable Sugars And Co-Products From A Forest Product Industry Wastewater Stream, Jifei Liu

Dissertations, Master's Theses and Master's Reports - Open

Hardboard processing wastewater was evaluated as a feedstock in a bio refinery co-located with the hardboard facility for the production of fuel grade ethanol. A thorough characterization was conducted on the wastewater and the composition changes of which during the process in the bio refinery were tracked. It was determined that the wastewater had a low solid content (1.4%), and hemicellulose was the main component in the solid, accounting for up to 70%. Acid pretreatment alone can hydrolyze the majority of the hemicellulose as well as oligomers, and over 50% of the monomer sugars generated were xylose. The percentage of …

Differential Spectral Imaging Of The Cn Violet Band In Laser-Induced Plasmas On Tnt Simulant Molecules, J. Merten, M. Jones, S. Hoke, S. Allen

Publications

Dual channel emission imaging of m-nitrobenzoic acid and benzoic acid was performed in order to visualize the morphology of the CN violet band emission of a TNT analogue. The CN channel was corrected for continuum emission using a simultaneously imaged background channel. Simultaneous dual channel imaging alleviated problems with shot to shot variation in the plasma morphology due to the friable substrates and showed differences between plasmas formed on the two targets.

Electrospinning Applications Air Filtration And Superhydrophobic Materials, Negar Ghochaghi, Adetoun Taiwo

Graduate Research Posters

Electrospinning is a widely applicable technique that generates non-woven fibers in the micro and nano range. In this project two of its applications are highlighted namely filtration media and enhancement of wettability. The first project demonstrates that electrospinning can be used to produce new fiber filtration media with controlled microstructure. The bimodal and unimodal orthogonal and random filters were made and characterized against their filtration efficiency and pressure drop. Figure of Merit (FOM) was also calculated and discussed. It is shown that the FOM increases when the electrospun fibers are arranged into alternating layers of aligned course and fine fibers. …

Evaluating N-Benzylgalactonoamidines As Putative Transition State Analogs For Β-Galactoside Hydrolysis, Qui-Hua Fan, Susanne Striegler, Rebekah Langston, James Barnett

Chemistry & Biochemistry Faculty Publications and Presentations

Experimental evidence is provided for p-methylbenzyl-D-galactonoamidine to function as a true transition state analog for the enzymatic hydrolysis of aryl-β-D-galactopyranosides by β-galactosidase (A. oryzae). The compound exhibits inhibition constants in the low nanomolar concentration range (12–56 nM) for a selection of substrates. Along these lines, a streamlined synthetic method based on phase-transfer catalysis was optimized to afford the required variety of new aryl-β-D-galactopyranosides. Last, the stability of the galactonoamidines under the assay conditions was confirmed.

Information In Biological Systems And The Fluctuation Theorem, Yaşar Demirel

Department of Chemical and Biomolecular Engineering: Faculty Publications

Some critical trends in information theory, its role in living systems and utilization in fluctuation theory are discussed. The mutual information of thermodynamic coupling is incorporated into the generalized fluctuation theorem by using information theory and nonequilibrium thermodynamics. Thermodynamically coupled dissipative structures in living systems are capable of degrading more energy, and processing complex information through developmental and environmental constraints. The generalized fluctuation theorem can quantify the hysteresis observed in the amount of the irreversible work in nonequilibrium regimes in the presence of information and thermodynamic coupling.

Gold-Magnetite Nanoparticle-Biomolecule Conjugates: Synthesis, Properties And Toxicity Studies, Akshay Pariti

Masters Theses

"This thesis study focuses on synthesizing and characterizing gold-magnetite optically active magnetic nanoparticle and its conjugation with biomolecules for biomedical applications, especially magnetic fluid hyperthermia treatment for cancerous tissue. Gold nanoparticles have already displayed their potential in the biomedical field. They exhibit excellent optical properties and possess strong surface chemistry which renders them suitable for various biomolecule attachments. Studies have showed gold nanoparticles to be a perfect biocompatible vector. However, clinical trials for gold mediated drug delivery and treatment studied in rat models identified some problems. Of these problems, the low retention time in bloodstream and inability to maneuver externally …

Natural Selectivity Of Nickel And Vanadium In Crude Oil, Olienka P. De La O Fernandez

Open Access Theses & Dissertations

Nickel and Vanadium have always been found in crude oil all around the world. The metal content is found mainly in porphyrin structures in the asphaltene fraction of the petroleum. In order to determine the reason for this natural preference, a set of experiments testing thermodynamics, kinetics, and other factors were performed. Candidate metalloporphyrins containing Vanadyl, Chromium, Iron, Nickel, Copper and Zinc were analyzed through chemical reactions characterized using Silica Column Chromatography, HPLC, MS and UV-Visible. Theoretical analysis of the stability of metalloporphyrins was conducted using DFT/NRLMOL for computational calculation. The analysis of all factors leads us to conclude that …

Controllable Synthesis Of Dispersed Spherical Fe3O4 Nanoparticles As Lithium-Inserted Materials, Hong-Li Zou, Wei-Shan Li

Journal of Electrochemistry

Dispersed spherical Fe₃O₄ nanoparticles were synthesized by a hydrothermal method. The influences of odecyl trimethyl ammonium bromide (DTAB) concentration on the morphology and particle size of the as-prepared Fe₃O₄ were studied. Electrochemical performance of the as-prepared sample as anode materials of lithium ion battery was investigated. It is found that the as-prepared sample exhibits superior rate performance and cycle performance. The nano-sized materials provide structural stability and favor the transfer of lithium ions.

Synthesis And Electrochemical Performance Of Nano Licopo4 By Polyol Method, Fei Wang, Yang Jun

Journal of Electrochemistry

High potential LiCoPO₄ cathode material was synthesized by polyol method. Carbon layer of ca. 3 nm thick was coated on the LiCoPO₄ surfaces by chemical vapor deposition from methylbenzene. Crystalline structure, morphology and electrochemical performance of the sample were studied by XRD, SEM, TEM, CV and galvanostatic charge/discharge curve. The synthesized material via polyol method showed a pure phase of LiCoPO₄. The LiCoPO₄/C electrode delivered a high discharge capacity of 132 mAh·g^-1 and maintained 78% of the initial capacity after 50 cycles at 0.1C rate. The two-step extraction/insertion behavior of Li⁺ in …

Aqueous Solution-Evaporation Route Synthesis And Phase Structural Research Of The Li-Rich Cathode Li1.23Ni0.09Co0.12Mn0.56O2 By In-Situ Xrd, Chong-Heng Shen, Shou-Yu Shen, Zhou Lin, Xiao-Mei Zheng, Hang Su, Ling Huang, Jun-Tao Li, Shi-Gang Sun

Journal of Electrochemistry

The Li-rich Li_1.23Ni_0.09Co_0.12Mn_0.56O₂ material was synthesized via aqueous solution-evaporation route. The structure and morphology of the material were characterized by means of XRD and SEM. The results indicated that the single particle of the product was polygonal with the size of 330 nm and the structure was layered solid solution with a certain amount of Li₂MnO₃. Electrochemical tests showed that the first discharge capacity of the Li-rich layered material was 250.8 mAh·g^-1 at 0.1C, the capacity retention was 86.5% after 40 cycles. Through in-situ XRD study …

Synthesis And Electrochemical Property Of Li2Fesio4/C Cathode Material By Solid State Method, Jiao-Li Sun, Zhi-Jiao Chen, Yi-Xiao Li, Hu Cheng

Journal of Electrochemistry

Li₂FeSiO₄/C cathode material was synthesized using Li₂SiO₃ and FeC₂O₄ as raw materials by solid state method. The structure and morphology of the material were characterized by XRD and SEM. The electrochemical properties of the material were studied by constant-current cyclic testing. The results show that Li₂FeSiO₄/C has a good electrochemical performance. The first discharge capacity of Li₂FeSiO₄/C cathode material at 30oC reached 167 mAh∙g^-1 when cycled at 10 mA∙g^-1 between 1.5 and 4.8 V.

Synthesis Of Ferrocene Copolymers And Investigation Of Their Electrochemical Properties., Alzharani Ahmed

Electronic Theses & Dissertations

Ferrocene is an organometallic compound. It is a classical metallocene consisting of two cyclopentadienyl rings bound on opposite sides of a central iron atom. Such organometallic compounds are also called sandwich compounds. Ferrocene copolymers have well known electrochemical capabilities. The main objective of this thesis is to synthesize vinyl ferrocene copolymers and test their electrochemical properties in aqueous solutions with different electrolytes (sodium nitrate, sodium perchlorate, and phosphate buffered saline). Vinylferrocene and 3-phenyl[5]ferrocenophane-1,5- dimethylene were synthesized using a Wittig reaction. Both ferrocene monomers were copolymerized with N-ethylmaleimide and N-phenylmaleimide and the resulting polymers were analyzed by Gel Permeation chromatography, IR …

Structural Characterization Of Super-Acid Oligomerized Fatty Esters., Esam Allehyani

Electronic Theses & Dissertations

Fatty acid methyl esters can be oligomerized with very strong acid catalysts - superacids such as tetrafluoroboric or triflic acid with formation of dimer and trimer fatty acids at much lower temperature, such as 80-90 °C, than what is used presently. Insight into the reaction of polymerization of fatty esters/ acids can be obtained by structural characterization. This would determine the properties of the oligomeric products and their ability to substitute currently used materials. It was presumed that dimer fatty, trimer fatty acid esters, and oligomeric fatty acid esters are produced by polymerization of fatty acid methyl esters by a …

Tin Sensitization For Electroless Plating, Xingfei Wei

Graduate Theses and Dissertations

The tin sensitization process has been used in electroless plating since 1940s Brenner and Riddell developed the electroless plating for surface metallization method. It was found to be an interesting topic to study tin sensitization for chemically controlling metal deposition on different substrates, because the tin sensitization process had critical effects on the electroless plated metal thin films. Nowadays electroless plating metal deposition is still an important method for depositing metals. It has a few advantages over the vapor deposition and electrodeposition method, such as work in an ambient condition, on nonconductive substrates, and without extra power input. Applying electroless …

An Experimental And Computational Evaluation Of The Importance Of Molecular Diffusion In Gas Gravity Currents, Jeremy Jac Herman

Graduate Theses and Dissertations

The accidental release of hazardous, denser-than-air gases during their transport or manufacture is a vital area of study for process safety researchers. This project examines the importance of molecular diffusion on the developing concentration field of a gas gravity current released into a calm environment. Questions which arose from the unexpectedly severe explosion in 2005 at Buncefield, England were of particular interest. The accidental overfilling of a large tank with gasoline on a completely calm morning led to a massive open air explosion. Forensic evidence showed that at the time of ignition, a vapor cloud, most of which now appears …