Search results

Title: AGENT-BASED MODELING OF ANGIOGENESIS: EXPLORATION OF THE EFFECTS OF VEGF DELIVERY STRATEGIES ON PROMOTING ANGIOGENESIS
Creator: Xiao, Nan
Date: 2015, 2015-05
Description: This is a dissertation about three-dimensional agent-based modeling (ABM) of angiogenesis within porous scaffold. Tissue engineering...
Show moreThis is a dissertation about three-dimensional agent-based modeling (ABM) of angiogenesis within porous scaffold. Tissue engineering technology provides great benefits for humanity in maintaining healthy tissue formation and disease rehabilitation. However, biomedical experiments, especially animal experiments, are very costly, timeconsuming and high technological level of equipment required. The computational modeling can provide an efficient alternative to biomedical experiments in strategy design and assist clinical research. To simulate the angiogenesis process, an agent-based model was developed using java-based Repast toolkit. The purpose of this research is to explore the effects of different Vascular Endothelial Growth Factor (VEGF) delivery methods in promoting angiogenesis. The work here includes four parts: a) model verification by comparing simulation results with experimental results; b) exploration of different VEGF delivery methods by changing total dose and release rate; c) exploration of the effects of prevascularized strategies; d) development of a tissue cell VEGF secretion model. The simulation results showed that: angiogenesis can be promoted by increasing VEGF total dose or decreasing releasing rate; prevascularized scaffolds can improve new vascular network formation and result in better invasion depth; pre-seeded tissue cells in the scaffold can provide a continuous source of VEGF and promote angiogenesis. This ABM can provide a good reference for the design of biomedical applications.
M.S. in Chemical Engineering, May 2015
Show less

Title: EFFECT OF REACTANT CONCENTRATIONS AND AGING EFFECT IN THE SYNTHESIS OF SILVER NANORODS
Creator: Wang, Guan
Date: 2016, 2016-05
Description: In the recent years, anisotropic metallic nanoparticles have drawn much attention because of their unique optical properties. Particularly,...
Show moreIn the recent years, anisotropic metallic nanoparticles have drawn much attention because of their unique optical properties. Particularly, gold and silver nanorods show great potential in extensive applications such as health care, food storage, drug delivery, biosensor, and cancer treatment. Among a variety of nanorods synthesis methods, the seed-mediated growth approach stands out due to its mild and convenient experimental conditions. However, there exist two defects of this method, the poor reproducibility and low yield of nanorods. In order to create nanoparticle systems of reproducible quality in high yields, a deeper understanding of the mechanism of nanorods formation as well as identifying the more important variables is necessary. In this study, the original seed-mediated growth method has been modified to promote the reproducibility and yield of nanorods. Effects of CTAB concentration and ages of growth solution have been investigated in the nanorods formation process. The results suggest that a high concentration of CTAB is not necessary for the growth process and the age of growth solution can affect the optical performance of nanorods. In a brief survey on the stability property of nanorods, it shows that the degradation rate decreases with increasing concentrations of CTAB.
M.S. in Chemical Engineering, May 2016
Show less

Title: MODELING, CONTROL, AND DESIGN OF HYBRID FUEL CELL VEHICLES
Creator: Ahmed, Syed
Date: 2011-12, 2011-12
Description: The Polymer Electrolyte Membrane Fuel Cell (PEMFC) has been projected to be the fuel cell of choice for future automotive applications. Among...
Show moreThe Polymer Electrolyte Membrane Fuel Cell (PEMFC) has been projected to be the fuel cell of choice for future automotive applications. Among the challenging aspects of this application is maintaining highly efficient operation of the fuel cell. The key component of the PEMFC, the Nafion Membrane, can reach two critical states: drying and flooding. In drying, high resistance prevents normal operation of the fuel cell. In flooding, reactants are prevented from reaching reaction sites and there is a reduction of performance of the fuel cell. To address the first point, a spatially distributed along the plane membrane model was developed and tested with proportional-integral control of voltage and temperature. To analyze the occurrence of severe and frequent changes in power demand, a model aimed at mimicking the load expected in a fuel cell vehicle, including a DC motor, DC-DC converters and a rechargeable battery for peak-shaving and regenerative braking was developed. The model includes rotational and translational inertia as well as a simple wind resistance model for a vehicle. In contrast to simple lab-focused loads where load impendence is directly manipulated, the manipulated variable within this load is the DC-DC converter gain. Based on this model a control system architecture was developed consisting of a number of low level regulatory loops, a power distributor for peak-shaving and finally a high level loop for tracking vehicle speed. After understanding the load demands to a fuel cell vehicle with only a battery, the issue of multiple energy storage technologies is addressed. Designing a vehicle with these technologies poses an optimization problem. A high-level model of a fuel cell vehicle with two storage technologies, a battery and super-capacitor was developed. The model accounted for the constraints of each component and a drive cycle characterized the power demand. An economic-based optimization problem xv was posed whereas its objective was to minimize the capital cost of the system, while meeting power demand and keeping the technologies within their constraints. The result of the optimization provided a controller from which a high-level power coordination unit can be developed for the fuel cell vehicle.
Ph.D. in Chemical Engineering, December 2011
Show less

Title: UNDERSTANDING THE MEMBRANE ACTIVITY OF ACYL LYSINE OLIGOMERS
Creator: Lingaraju, Mahesh
Date: 2012-07-10, 2012-07
Description: In the past two decades, Antimicrobial peptides (AMPs) have attracted considerable interest because of their potential therapeutic use as...
Show moreIn the past two decades, Antimicrobial peptides (AMPs) have attracted considerable interest because of their potential therapeutic use as antibiotics, antivirals, and antitumoural drugs. However, there are a number of serious challenges on the way toward bringing AMPs onto the market which include their rapid in vivo degradation, high production costs, reduced activity in physiological conditions, etc. To overcome these problems and yet to capitalize on the immense potential of AMPs, extensive efforts to develop their non-natural mimics have been recently made. A better understanding of the structure-activity relationships of AMPs is essential to the creation of a successful peptidomimetic compound. It has been widely accepted that AMPs kill pathogens by disrupting the cell membrane or invading the cytoplasm and inhibiting core metabolic functions. Thus, the pathogenic membrane plays a crucial role either as an immediate target or as a barrier that must be traversed. Herein, we have investigated the role of charge and hydrophobicity in the interplay between membrane-active molecules (Oligomers of acyl lysine) and model bacterial or host cell membranes using constant-pressure insertion assays, synchrotron X-ray reflectivity (XR) and grazing incident-angle X-ray diffraction (GIXD). The outer surface of a membrane was approximated by a planar lipid monolayer at the air-liquid interface, whose composition was modified in accordance with the cell being modelled. The presented results have helped us to arrive at a general mechanism by which the OAKs seem to interact with lipids which is strongly dependent upon the charge density of the monolayer, charge and hydrophilicity of the molecule and presence of freely accessible hydrophobic regions. The results indicate the molecules fail to interact with the acyl chains when they poorly negotiate with the head group or when they lack accessible hydrophobic regions. Overall, presented results advance current understanding of the mechanism of action of flexible AMP mimics on bacterial membranes and will no doubt aid in the rational design and optimization of non-natural mimics of antimicrobial peptides that will be effective against multidrug resistant bacteria and cancer cells. Nevertheless, future work is required to further understand the critical factors leading to potent anti-infective activity of antimicrobials.
M.S. in Molecular Biochemistry and Biophysics, July 2012
Show less

Title: YIELD STRESS MEASUREMENTS USING NOVEL SQUEEZING FLOWS
Creator: Ward, Daniel
Date: 2015, 2015-12
Description: Techniques for measuring the yield stress of materials are numerous, but often plagued with diffculties and uncertainties in measurement. The...
Show moreTechniques for measuring the yield stress of materials are numerous, but often plagued with diffculties and uncertainties in measurement. The primary methods include shear rheometry and, more recently, squeezing ow. Shear rheometry requires care on the part of the experimentalist to generate uniform flow fields and avoid shear banding or wall slip which may interfere with measurements. Squeezing fow tests are often performed with poorly controlled boundary conditions creating complicated flow fields. Further, the effects of the experimental modifications made to produce these boundary conditions in measurements are often not investigated and simply ignored. The main objective of this study was to develop a novel measuring technique to study the yield stress behavior of a model material, Carbopol. First attempts were made towards a novel lubricant injection squeezing (LIS) ow technique based on the continuous lubricated squeezing ow (CLSF) setup, as well as a novel lubricant film squeezing (LFS) technique which will allow measurement of the yield stress without the complicated treatment of either the sample or experimental setup required by currently favored methods. The novel techniques were developed and validated by direct comparison with shear measurements, the current gold standard for determining yield stress. Common squeezing techniques for characterizing yield stress fluids were also compared and found to be inadequate and inconsistent when compared to the shear measurements. The results from this study showed that the LIS and LFS methods are able to qualitatively determine a yield stress, but further investigation is required before they can be achieve their full potential as viable methods for determine yield stress.
M.S. in Chemical Engineering, December 2015
Show less

Title: A METHODOLOGY FOR UTILIZATION OF DEGRADED WATER IN THERMOELECTRIC POWER PLANT COOLING SYSTEMS
Creator: Safari, Iman
Date: 2013, 2013-12
Description: The overall objective of this study was to develop a comprehensive methodology to identify viable treatment strategies for utilization of...
Show moreThe overall objective of this study was to develop a comprehensive methodology to identify viable treatment strategies for utilization of degraded waters for cooling in thermoelectric power systems. To achieve this objective a process simulation model was developed using Aspen Plus® with the OLI (OLI System, Inc.) water chemistry model to predict water quality and the rate of fouling in the recirculating cooling loop utilizing secondary-treated municipal wastewater (MWW) and tertiary-treated municipal wastewater as the sources of makeup water. This process simulation model includes sub- models for pre-treatment units; the cooling tower with water, CO2, and NH3 evaporation; as well as the recirculating cooling system and condenser with salt precipitation and fouling. The input parameters of the model, including CO2 mass transfer coefficients in the cooling tower and kinetics of salts precipitation reactions, were determined by developing mathematical models and calibrating the models with the experimental data obtained from literature. The process simulation module was used to predict the water quality in the recirculating cooling loop and the results were compared with pilot-scale experimental data from literature on makeup water alkalinity, loop pH and ammonia evaporation. The effects of various parameters including makeup water quality, salt formation, NH3 and CO2 evaporation mass transfer coefficients, heat load and operating temperatures were investigated. The results indicate that stripping of CO2 and NH3 in the cooling tower can significantly affect the cooling loop pH. x viii The model was also used to determine the rate of fouling in the condenser. The results indicate that the fouling rate of MWW as makeup water is significantly higher than that expected with fresh water, and tertiary treatment of MWW such as nitrification and/or softening can significantly reduce the fouling potential. Finally, the rate of fouling obtained from this study was integrated into the existing cost model developed earlier (at Illinois Institute of Technology) to perform the overall economic analysis. The results show that the use of municipal wastewater (MWW) to replace freshwater as makeup for the recirculating cooling loops of thermoelectric power plants is economically viable when tertiary treatments such as nitrification or softening are applied. Among various treatment strategies studied, nitrification of MWW has the lowest cost of 0.29 $/m3 for utilization in a 550 MW power plant. Furthermore, it was concluded that utilization of secondary treated municipal wastewater (MWW) without tertiary treatments such as nitrification or softening is not economically viable due to its significant fouling costs.
PH.D in Chemical Engineering, December 2013
Show less

Title: SLIP-LINK MODELING OF ENTANGLED POLYMERS: RHEOLOGICAL APPLICATIONS AND EXTRACTING FRICTION FROM ATOMISTIC SIMULATION
Creator: Katzarova, Maria
Date: 2016, 2016-05
Description: The Discrete Slip-link Model (DSM) is a robust mesoscopic theory that has great success predicting the rheology of flexible entangled polymer...
Show moreThe Discrete Slip-link Model (DSM) is a robust mesoscopic theory that has great success predicting the rheology of flexible entangled polymer liquids and gels. In the most coarse-grained version of the DSM, we exploit the university observed in the shape of the relaxation modulus of linear monodisperse melts. For this type of polymer we present analytic expressions for the relaxation modulus. The high-frequency dynamics which are typically coarse-grained out from the DSM are added back into these expressions by using a Rouse chain with fixed ends. We find consistency in the friction used for both fast and slow modes. Using these analytic expressions, the polymer density, the molecular weight of a Kuhn step, Mk, and the low-frequency cross-over between the storage and loss moduli, G' and G", it is now straightforward to estimate model parameter values and obtain predictions over the experimentally accessible frequency range. Moreover it has previously been shown that the two static parameters can be obtained from primitive path analysis of molecular dynamics simulations. In this work, two ways are shown for obtaining the friction parameter (i) from atomistic simulations of short chains using the free-volume theory, and (ii) from atomistic simulations of entangled chains by scaling the chain center-of-mass mean-square displacement from the slip-link model to that of the atomistic simulation. Futhermore three standing challenges for molecular theories of polymers (i) predictions for uniaxial extension of star-branched polymer melts (ii) predictions for blends of star-branched and linear chains and (iii) predictions for normal stress differences in start-up of shear and followoing cessation are addressed here using the DSM. Additionally the DSM is used to predict the mechanical properties of a cross-linked polydimethylsiloxane (PDMS) network swollen with non-reactive entangled PDMS solvent. These successful predictions strongly suggest that the observed rheological modification in the swollen blend arises from the constraint dynamics between the network chains and the dangling ends.
Ph.D. in Chemical Engineering, May 2016
Show less

Title: RHEOLOGY OF ENTANGLED POLYMER LIQUIDS IN EQUIBIAXIAL ELONGATIONAL FLOWS
Creator: Mick, Rebecca M.
Date: 2015, 2015-05
Description: Equibiaxial deformation is an important flow in industrial processes such as film blowing and blow molding. Unfortunately, it is very...
Show moreEquibiaxial deformation is an important flow in industrial processes such as film blowing and blow molding. Unfortunately, it is very difficult to implement experimentally which has led to empirical design of these processes. A technique called continuous lubricated squeezing flow (CLSF) has been developed to perform equibiaxial deformation on systems such as polymer melts. This technique is used in this study to measure the behavior of entangled polymer melts in equibiaxial elongation to further the understanding of these materials in industrially relevant flows. The results of CLSF experiments on three linear chain polymer systems show strain softening for strain rates resulting in Weissenberg numbers, Wi = ε˙Bτd > 1. Higher rates lead to greater softening. The deviation from the linear viscoelastic (LVE) prediction occurs at about a strain of one for all the materials. Equibiaxial and shear behavior were compared for two monodisperse linear systems. When normalized by LVE behavior, the two flows yield similar behavior such that the equibiaxial rheology could be inferred from shear rheology. Unfortunately, polydisperse linear and branched systems did not show the same behavior. The two monodispere systems were compared to the GLaMM and Discrete Slip-Link molecular theories. Neither model could successfully predict the equibiaxial behavior; both predicted excessive strain softening and a premature deviation from LVE. Recent literature has suggested that based on uniaxial measurements, dilution changes the behavior of an entangled polymer system. This is contrary to theories of polymer dynamics. A pure melt and diluted melt with the same entanglement density were compared in shear and equibiaxial flows after adjusting for changes in friction. The results were consistent with universality principles of entangled polymers; the uniaxial results require further investigation.
Ph.D. in Chemical Engineering, May 2015
Show less

Title: MODELING AND NUMERICAL SIMULATION OF WIND TURBINE PERFORMANCE IN RAINY CONDITIONS USING A MULTIPHASE FLOW APPROACH
Creator: Cai, Ming
Date: 2012-04-25, 2012-05
Description: Wind energy is becoming one of the key renewable sources of energy in the United States and the world due to its environmental and economic...
Show moreWind energy is becoming one of the key renewable sources of energy in the United States and the world due to its environmental and economic advantages and absence of water requirements. The performance of a wind turbine is largely affected by surrounding environments and the total power output of a wind farm is closely related to meteorological phenomena such as rain and icing. Investigating the effects of these phenomena is necessary to improve the design and performance of the wind turbines. In this research, we focused on the study of wind turbine performance in rainy conditions as the stepping stone to the future study of icing. We applied Computational Fluid Dynamics (CFD) technology to investigate the impact of rain on wind turbines. A novel model coupling the Lagrangian method with the Eulerian method was developed. The rain droplet was tracked in the Lagrangian frame due to its discrete nature, and the film formed on the wind turbine was simulated with the Eulerian Volume of Fluid Model (VOF). The performance loss and impact on the flow field were also studied. Numerical studies have been conducted on 2-Dimensional S809 airfoils and 3- Dimensional Horizontal Axial Wind Turbines (HAWT). The performance loss under heavy rain conditions was observed and the flow field was analyzed. The impact of air moisture content on wind turbine performance was also studied using our 3-D model. Due to the lack of experimental data on wind turbine performance under heavy rain conditions, our coupled two phase flow model was applied to a NACA 64-210 airfoil to compare with the experimental data in rainy conditions. Simulation results using our model showed good agreement with the experimental data.
M.S. in Chemical and Biological Engineering, May 2012
Show less

Title: SMART GRID COORDINATION OF A CENTRALIZED POWER AND COOLING FOR AN URBAN COMMUNITY
Creator: Franco, Diego Pacheco
Date: 2016, 2016-05
Description: Because the world’s fossil fuel reserves are finite, it is essential to substantially improve the efficiency of all energy consumers. Heating,...
Show moreBecause the world’s fossil fuel reserves are finite, it is essential to substantially improve the efficiency of all energy consumers. Heating, ventilating and air conditioning (HVAC) accounts for 45% of energy consumption in residential buildings. Thus, this project studied and proposed solutions to improve the efficiency of such systems. The project begins with an analysis of a cooling system using electric chillers for a new hypothetical residential community in the Chicago area. Then, two new hybrid configurations were proposed: the utilization of electric and absorption chillers and then this system was augmented with a Thermal Energy Storage (TES) system. A simulation environment based on Matlab/Simulink®, using the concepts of Economic Model Predictive Control (EMPC) was developed to evaluate the performance of these configurations. The main benefits found were the increasing energy efficiency, the environmental impacts reduction and a reduction of more than 70% in operating costs (in some cases, profit was generated).
M.S. in Chemical Engineering, May 2016
Show less

Title: THE EFFECT OF NANOPARTICLE SELF-STRUCTURING ON WETTING AND SPREADING OF NANOFLUIDS ON SOLID SURFACES
Creator: Kondiparty, Kirtiprakash
Date: 2011-11, 2011-12
Description: Nanofluids are suspensions of nanometer-sized particles in liquids. The nanoparticles self-structure at the three-phase contact region...
Show moreNanofluids are suspensions of nanometer-sized particles in liquids. The nanoparticles self-structure at the three-phase contact region resulting in the structural disjoining pressure gradient which causes enhanced the spreading of nanofluids compared to simple fluids without nanoparticles. In this thesis, we attempt to understand the effect of the structural disjoining pressure on the spreading dynamics of nanofluids on solid surfaces. We observed nanoparticle self-structuring phenomena during film thinning on a smooth hydrophilic glass surface using a silica-nanoparticle aqueous suspension and reflected light interferometry. Our experiments revealed that film formed from small drop is thicker and contains more particle layers than a film formed from large drop. The data for the film-meniscus contact angle verses film thickness were obtained and used to calculate the structural energy isotherm of an asymmetric film. We studied the effect of structural disjoining pressure on the wedge meniscus profile formed by an oil drop on solid surface surrounded by nanofluid using Laplace Equation augmented with the structural disjoining pressure. Our analyses indicate that a suitable combination of the nanoparticle concentration, nanoparticle size, contact angle, and capillary pressure can result not only in the displacement of the three-phase contact line, but also in the spontaneous spreading of the nanofluid as a film on solid surface. We validated our theoretical predictions using experiments where we observed spreading of nanofluid on glass surface displacing a sessile drop of canola oil. The dynamic spreading of the nanofluid on a solid surface between a sessile oil drop on solid surface was experimentally measured using reflected light microscopy. We xiv obtained the rate of nanofluid spreading by plotting the position of the inner contact line with time. The nanofluid film was found to spread at a constant velocity. We modeled the spreading dynamics of the nanofluid film using the lubrication approximation of the Navier-Stokes Equation, taking into consideration the structural disjoining pressure in the over-all pressure balance. The model was evaluated by estimating the rate of nanofluid spreading for the 10v% nanofluid. The rate of spreading thus predicted by the dynamics model for 10v% nanofluid was in good agreement with the experimental observations.
Ph.D. in Chemical Engineering, December 2011
Show less

Title: Ease of Contamination and Subsequent Sanitation of Food Contact Surfaces Using Salmonella Contaminated Nut Butters
Creator: Kamineni, Prashanthi
Date: 2012-07-23, 2012-07
Description: Salmonella species can survive and or persist for long periods of time in low moisture foods and on food contact surfaces. Understanding...
Show moreSalmonella species can survive and or persist for long periods of time in low moisture foods and on food contact surfaces. Understanding parameters of transfer and survival can provide information required for successful control of this foodborne microorganism. This study investigated the recovery of Salmonella from food contact surfaces (stainless steel, Delrin, polyethylene, polyurethane) as well as their transfer from nut butters onto the contact surfaces. S. Tennessee and S. Oranienburg were grown overnight to stationary phase, harvested and inoculated separately into peanut butter and almond butter. One gram of inoculated nut butter was applied to each of the three separate 4 X 4 cm areas on the materials and stored at room temperature. The nut butters were removed after 1, 7, and 14 day intervals to leave a visually clean surface. Surfaces were swabbed and/or tested with contact plates to determine the population of any remaining cells. Using contaminated peanut butter, highest numbers of S. Tennessee of about 4.27 ± 0.30 per cm2 were recovered from stainless steel surface after 1 day of contact time. Both serovars were recovered at low numbers over time. However, when contaminated almond butter was used, lower recovery was obtained with both serovars. Visually clean surfaces were also treated with various sanitizers to determine efficiency of treatments. Of the three sanitizers, isopropanol proved most effective overall in reducing Salmonella contamination whereas chlorine was least effective. BDD and isopropanol gave best efficiency on stainless steel with a reduction of about 2.5 logs and least on polyurethane surface with a reduction of only about 1 log (p<0.05). Results were similar for both the serovars tested. In general, sanitizers were most effective on stainless steel while polyurethane surface was the most difficult to sanitize. These studies contribute to a better understanding of the behavior of S. Tennessee and S. Oranienburg in nut butters and on food contact surfaces. Estimation of contamination levels may be determined from transfer rates for Salmonella from contaminated to uncontaminated foods and food contact surfaces.
M.S. in Food Safety and Technology, July 2012
Show less

Title: MODELING AND SIMULATION OF DIRECT CARBON FUEL CELL ANODE IN CONNECTION WITH ANALYSIS AND CHARACTERIZATION OF WETTED CARBON ROD IN MOLTEN CARBONATE
Creator: Peng, Feng
Date: 2013, 2013-07
Description: Not available
M.S. in Chemical Engineering, July 2013

Title: INVESTIGATION OF OXYGEN GENERATION DURING THE OPERATION OF LITHIUM-ION CELLS USING IN-SITU FLUORESCENCE SPECTROSCOPY
Creator: Li, Mo
Date: 2016, 2016-07
Description: An ex-situ fluorescence spectroscopy system was set up and utilized to study the interaction of fluorescent dyes with an oxygen quencher. The...
Show moreAn ex-situ fluorescence spectroscopy system was set up and utilized to study the interaction of fluorescent dyes with an oxygen quencher. The Stern-Volmer relationship was obtained and fitted to correlate the partial pressure of oxygen to the dye fluorescence intensity. The oxygen quenching constant α for 30 μM 9,10-dimethylanthracene_(DMA) dissolved in the mixture of ethylene carbonate_(EC) and dimethyl carbonate_(DMC) (1:1 volume ratio) were 0.69/0.62 at high/low partial pressure of oxygen. Operation of the self-made pouch cells with LiCoO2 as the cathode material was examined by charging/discharging at C/10. The discharge capacities were 107 and 104 mAh/g for the pouch cell both with and without the optical probe, which indicates that the optical probe did not significantly affect the performance and capacity of the cell. The optical probe was inserted into the pouch cell to measure the fluorescence intensity of the dye that was dissolved in the electrolyte. Time series experiments before charging demonstrated that the fluorescence intensity was stable for at least 24 hours. However, the fluorescence intensity decreased abruptly as the voltage of the pouch cell increased during the initial stages of charging, which means that the dye (DMA) could not be employed to detect the oxygen generated in the cell. Both the real-time fluorescence spectroscopy and the cyclic voltammetry illustrated that this dye was not suitable for the in-situ fluorescence tests. The electrochemical stability at room temperature of different dyes such as anthracene, Palladium (II) meso-tetrakis (pentafluorophenyl porphyrin)_(PTTFPP) and Platinum octaethylporphyrin_(PtOEP) were examined in the organic solvents used in the electrolytes in Li-ion cells. Cyclic voltammograms of anthracene and PTTFPP showed oxidation peaks at 2V and reduction peaks at around 1V, with the possible formation of the radical anion causing spectral changes. The chemical compound 1-hexyl-3- methylimidazolium bis (trifluormethylsulfonyl)imide_(HMIM BTI) was electrochemically stable, but the fluorescence intensity was too low (5% of dye DMA) to be used in the in-situ detection of oxygen. As a result, more work must be performed in the future to find a suitable dye. Keywords: fluorescence spectroscopy, in-situ Li-ion cell operation, quencheroxygen, the Stern-Volmer relationship
M.S. in Chemical Engineeering, July 2016
Show less

Title: AN EMPIRICAL APPROACH TO GASSIFICATION PROCESS MODELING AND ASSESSMENT
Creator: Rahmaninejad, Fatemeh
Date: 2013-05-01, 2013-05
Description: There has been growing interest in estimating the flow rate and composition of fuel gases produced from gasification of coal and other...
Show moreThere has been growing interest in estimating the flow rate and composition of fuel gases produced from gasification of coal and other carbonaceous solid fuels. In general, coal gasification processes are complex, and because of the high costs associated with the experimental investigations, modeling and simulation tools are needed to assist with the design, analysis, and optimization of these complex processes. Most of the efforts in the development of gasifier models have focused on two different approaches; equilibrium modeling and kinetic modeling. The chemical equilibrium approach assumes the gasification reactions have sufficiently fast kinetics and reach global chemical reaction equilibria, which leads to over-prediction of the extent of the gasification reactions [1, 2, 3]. On the other hand, the kinetic based models require detailed knowledge of hydrodynamic and reaction kinetics of the heterogeneous and homogeneous chemical reactions [4, 5]. Because of the dependence of the product gas (composition and flow rate) on a broad ranges of certain key operating variables such as gasifier design, configuration, and coal type the gasification model needs to take into account the effect of those parameters based on available experimental data. In this study, a versatile and user-friendly gasifier simulation model was developed which incorporates a MS Excel interface aiming to provide a guide to gasification process analysis, evaluation and improvement. The model uses a set of empirical “default” correlations, for the reaction conversions that were obtained from xi regression analysis of the available experimental data to predict the syngas composition, flow rate, and performance of the gasifier based on the operating conditions specified by the user. The results of the parametric studies performed for assessment of the effect of operating conditions are discussed and presented.
M.S. in Chemical Engineering, May 2013
Show less

Title: PROTEOLYTIC STABILITY OF FIBRONECTIN CONJUGATED TO POLYETHYLENE GLYCOL: EFFECT OF PEG LENGTH TO CYSTEINE RESIDUES
Creator: Hekmatfar, Sogol
Date: 2013, 2013-07
Description: Fibronectin (FN) is an essential protein of the extracellular matrix (ECM) needed in wound healing. In chronic wounds, the high levels of...
Show moreFibronectin (FN) is an essential protein of the extracellular matrix (ECM) needed in wound healing. In chronic wounds, the high levels of protease in the wound bed lead to excessive degradation of fibronectin, which delays the healing process. Developing a proteolytically stable and functionally active form of FN is the main purpose of this research. Conjugating of proteins to polyethylene glycol (PEG) or PEGylating proteins showed more proteolytic stability than native FN degradation without perturbing their activity. The goal of this study was to compare the proteolysis of native and PEGylated fibronectin with different PEG length. Fibronectin was purified from human blood plasma and conjugated to PEG Diacrylate (PEGDA) and other types of PEG to yield the PEGylated human plasma fibronectin (PEG-HPFN). α-chymotrypsin and neutrophil elastase were used as digestion enzyme during degradation reaction. The proteolysis reaction was stopped at different time points with protein inhibitor phenylmethanesulfonylfluoride (PMSF). The samples were analyzed by SDS-PAGE followed by silver staining or immunblotting with antibodies specific to human fibronectin. Densitometric analyses of the polyacrylamide gels or the blots demonstrated that PEG-HPFN was more stable than native HPFN. The results demonstrate that PEGylation is a robust approach for stabilizing fibronectin. Future studies into activity of PEGylated proteins as well as the role of PEGylation factors such as extent of PEGylation or PEG length on activity will provide novel strategies of mitigating fibronectin degradation in chronic wounds.
M.S. in Chemical Engineering, July 2013
Show less

Title: STABILITY OF AQUEOUS FOAMS: FOAM FILM STRATIFICATION PHENOMENON AND THE EFFECTS OF DISPERSED VERSUS SOLUBILIZED OIL
Creator: Lee, Jongju
Date: 2016, 2016-05
Description: A foam is a system consisting of a concentrated dispersion of gas bubbles in a liquid. Foams are encountered in many industries such as food,...
Show moreA foam is a system consisting of a concentrated dispersion of gas bubbles in a liquid. Foams are encountered in many industries such as food, agriculture, chemicals, petroleum, and paper manufacturing. Aqueous foams are formed by using surfactants or nano-colloidal particles. Thin liquid films containing surfactant micelles or other nano-colloidal particles are considered to be the key structural elements of foams containing gas and liquid. We thus probed the effects of the micellar concentration and the film size (area) on the stability of a dry bulk foam by studying the stability of a single foam lamella containing micelles; this is so we can establish the importance of the micellar structuring phenomenon and the foam film size (area) affecting the bulk foam stability. The film stratification phenomenon (stepwise film thinning) was experimentally observed by the reflected light microinterferometry. The stepwise layer-by-layer decrease of film thickness is due to the appearance and growth of dark spot (of one layer less film thickness) in the film. We used the two-dimensional diffusion model to model the dynamics of dark spot expansion considering the apparent diffusion coefficient and the film size. Based on this model, we carried out a parametric study depicting the effects of film thickness (or the number of micellar layers) and film area on the rate of dark spot expansion. Many practical applications involving three-phase foams (aqueous foams containing oil) commonly employ surfactants at several times their critical micelle concentration (CMC). We investigated the influence of both the dispersed and solubilized oils, and the surfactant concentration (above CMC) on the stability of an aqueous foaming system. In foam stability, the relative importance of the dispersed oil versus oil solubilized within the micelles depends on the stability of the aqueous asymmetric (i.e., pseudoemulsion) film between the oil and the air-water interface and the second virial coefficient. Also, the micellar structuring phenomenon tests using the single foam lamella revealed that the multi-layering structure was well pronounced in the absence of the solubilized oil; as a consequence, the foam lamellae thinned slowly layer-by-layer and the oil solubilized in micelles weakened the micellar structure formation. The foam lamellae thinned faster, making the foam less stable.
Ph.D. in Chemical Engineering, May 2016
Show less

Title: MODELING AND COMPUTATIONAL FLUID DYNAMICS SIMULATION OF A BUBBLING FLUIDIZED BED PROCESS AT DIFFERENT SCALES
Creator: Jang, Jungkee
Date: 2012-11-14, 2012-12
Description: In recent years there has been increased research activity in the experimental and numerical study of gas-solid flow system in the bubbling...
Show moreIn recent years there has been increased research activity in the experimental and numerical study of gas-solid flow system in the bubbling fluidized bed process. The bubbling fluidized bed process have numerous applications in the energy, pharmaceuticals, and chemicals process industries since it has provides a number of advantages such as large heat capacity inside a bed, and rapid heat and mass transfer rate. A reliable design and scale-up approach for a bubbling fluidized bed process requires a very detailed model based on the fundamentals of multiphase transport phenomena. The present works address the simulation and scale-up of rather complex gas-solid flow behavior in bubbling beds using Computational Fluid Dynamics (CFD) approach. The CFD model developed in this study which is based on two fluid model was used to optimize the performance and utilized as a scale-up tool for an isothermal and a non-isothermal bubbling fluidized bed process. For isothermal case, 2-Dimensional and 3-Dimensional simulations of bubbling beds for both PSRI laboratory and large scales fluidized beds using a kinetic theory approach were performed. The FLUENT code was used to conduct the simulations. Our simulation results were validated and refined by comparing them with the laboratory-scale experimental data of PSRI. Then, our modified 2-D and 3-D CFD models were used to predict the large-scale PSRI bubbling fluidized bed performance at different operating conditions. In our 3-D simulations, we used exactly the same bed dimensions and inlet configurations (such as air distributor) as the experimental one to predict the characteristics of gas-solid flow patterns in the PSRI large-scale bubbling fluidized bed. The numerical simulation results compared well with both PSRI large scale experimental xx data on pressure drop and time-averaged void fraction near the wall, which could be a very good proof for demonstrating the capability of CFD as a tool to be used in the design and scale-up of bubbling fluidized bed systems. For non-isothermal case, the set of equations necessary to describe the flow patterns and heat/mass transfer phenomena of bubbling beds at three different scales were developed. CFD simulations were performed to investigate the characteristics of pharmaceutical particle drying process in bubbling fluidized beds at three different scales (e.g., lab, kilo, and 10-kilo scales). The results of CFD simulation were compared with the experimental data obtained at laboratory-scale (Duquesne University experiments), to validate and refine our CFD model. The modified model was used to simulate the drying of the same material in Abbott laboratory kilo and 10-kilo scale units. Our simulation results for solid particles drying as a function of dimensionless time showed that our CFD model along with similar dimensionless group similarity approach can be used as a tool to scale-up the drying process from experimental scale to both kilo-scale and 10-kilo scale fluidized bed dryer. Moreover, to determine the optimum particle mixing, numerical simulations were performed at different particle diameters, bed heights, inlet velocities and inlet velocity distributions, respectively. The numerical simulation results compared well with the experimental data (performed by Duquesne University and Abbott laboratory) on moisture removal rate and outlet gas temperature. This also could be a very good proof for demonstrating the capability of CFD as a tool to be used in the design and scale-up of non-isothermal bubbling fluidized bed processes.
PH.D in Chemical Engineering, December 2012
Show less

Title: INVESTIGATION OF PERFORMANCE AND DURABILITY OF POLYMER ELECTROLYTES FOR ELECTROCHEMICAL ENERGY STORAGE AND CONVERSION TECHNOLOGIES
Creator: Jung, Min-suk
Date: 2016, 2016-07
Description: Polymeric ion exchange membranes are integral components of electrochemical conversion/storage devices such as fuel cells, water electrolyzers...
Show morePolymeric ion exchange membranes are integral components of electrochemical conversion/storage devices such as fuel cells, water electrolyzers, and redox flow batteries. There has been dramatic progress in the research and development of cation exchange membranes (CEM). Nafion® (perfluorosulfonic acid membranes) is one example of a state-of-the-art CEM and has been successfully demonstrated in various electrochemical energy devices. Unlike CEMs, anion exchange membranes (AEMs) have been of limited utility to date due to their drawbacks, including poor chemical/mechanical stability and low ionic conductivity. However, alkaline environments result in better activity for electrochemical reactions and afford the possibility of using non-platinum group metal (PGM) electrocatalysts. AEMs, therefore, are still being studied in order to resolve existing challenges in terms of conductivity and stability in alkaline media and in strongly oxidizing solutions. In this work, AEMs derived from different types of polymer backbones were prepared, and their chemical stability and electrochemical property were investigated. Polysulfone (PSF) AEMs were prepared by first chloromethylating polysulfone, then by functionalizing chloromethylated polysulfone (CMPSF) with different base reagents. PSF-trimethylamine (TMA) AEMs showed a 40-fold reduction in vanadium (IV) ion (VO2+) permeability when compared to a Nafion® membrane and exceptional oxidative stability after exposure to a 1.5 M vanadium (V) ion (VO2 +) solution for 90 days. PSF-TMA AEMs were successfully demonstrated in the all-vanadium redox flow battery. Excellent energy efficiencies (>75 %) were attained and sustained over 75 chargedischarge cycles for a vanadium redox flow battery prepared using the PSF-TMA separator. Crosslinking of poly(2,6-dimethyl-1,4-phenylene oxide) (PPO) AEMs using diamine was tried with intentions to improve the mechanical stability and electrochemical property of PPO AEM. Crosslinked PPO AEMs (30 ± 4 % at 25 oC) showed less liquid water uptake than non-crosslinked PPO AEMs (46 ± 5% at 25 oC) while maintaining comparable ionic conductivities (hydroxide ion conductivity of 45 mS/cm at 60 oC). Crosslinked PPO AEMs maintained mechanical integrity and still showed some mechanical stability (ultimate tensile strength of 3~4 MPa and elongation at break of 13~17 %) after exposure to 1 M KOH at 60 oC for 14 days, while noncrosslinked PPO AEMs completely lost their mechanical durability. Finally, this dissertation presents research related to perfluorinated AEMs prepared using a Grignard reagent. These membranes exhibited 0.7 mmol/g of Cl- ion exchange capacity (IEC), 20 mS/cm of hydroxide ion conductivity at 20 oC, and 10 % of water uptake at room temperature. The membranes also maintained 90 % of their initial conductivity after an exposure to 1.5 M VO2+ in 3 M H2SO4 solution for seven days.
Ph.D. in Chemical Engineering, July 2016
Show less

Title: ELECTROCATALYSTS FOR ALKALINE WATER ELECTROCATALYSIS
Creator: Jain, Anchal
Date: 2016, 2016-07
Description: Hydrogen is an attractive energy carrier and is part of an idealistic future wherein it serves as a clean energy source. In the presence of...
Show moreHydrogen is an attractive energy carrier and is part of an idealistic future wherein it serves as a clean energy source. In the presence of oxygen, it can be converted to water in fuel cells with the release of heat and electrical work. Electrolysis of water is an important route to hydrogen generation. Alkaline water electrolysis is preferred over electrolysis in acidic medium due to the possibility of lowering stack costs and enhancing the library of stable electrocatalyst materials available for the electrochemical reactions. The high anode overpotential arising from the sluggish oxygen evolution reaction (OER) has led to significant interest in developing stable and active OER electrocatalysts. IrO2 (state of the art catalyst), RuO2 and PGM-based pyrochlores are suitable catalyst materials that exist today, but there is benefit in finding cost-effective alternatives. In this study, the pyrochlore oxides containing non- Platinum Group Metals (non-PGM) metals were synthesized by solid state reaction and were tested for their OER activity but none of the materials tested, exhibited OER activity and a comparison was attempted between the pyrochlores containing PGM metals as against those containing non-PGM metals. Additionally, perovskite oxides of the form La[Ni(1-x-y)CoxFey]O3 (where 0≤x≤1 and 0≤y≤1) were synthesized by the co-precipitation method. Many of these perovskites exhibited electron conductivities greater than 0.1S/cm, eliminating the need to add carbon for OER studies and implying the likelihood of making conducting electrodes with these materials without the additives like carbon. The perovskites LaNi0.6Co0.4O3 or LaNi0.6Fe0.4O3 with x/y =0.4 had conductivities of the order of 10S/cm. The electrocatalytic activity for the OER was studied using a rotating disk electrode (RDE) in 0.1M KOH and catalyst loading of ~100μg/cm2. The perovskite LaNi0.5Co0.5O3 (x=0.5, y=0) had the onset potential of ~1.50V against RHE, and all these perovskites had onset potentials ~0.1-0.15V higher than the benchmark IrO2 that has an onset potential of ~1.43V. Few of the perovskites were also evaluated for their oxygen reduction activity (ORR) implying that these materials can be used as bi-functional catalysts.
M.S. in Chemical Engineering, July 2016
Show less

repository.iit

Search the repository

Pages

Pages

Enabled Filters

Refine Results

Type

Date

Academic status of creator

Subject

Creator

Rights