Other Chemical Engineering Commons^™

Optical Cell For Combinatorial In Situ Raman Spectroscopic Measurements Of Hydrogen Storage Materials At High Pressures And Temperatures, Jason R. Hattrick-Simpers, Wilbur S. Hurst, Sesha S. Srinivasan, James E. Maslar

Faculty Publications

An optical cell is described for high-throughput backscattering Raman spectroscopic measurements of hydrogen storagematerials at pressures up to 10 MPa and temperatures up to 823 K. High throughput is obtained by employing a 60 mm diameter × 9 mm thick sapphire window, with a corresponding 50 mm diameter unobstructed optical aperture. To reproducibly seal this relatively large window to the cell body at elevated temperatures and pressures, a gold o-ring is employed. The sample holder-to-window distance is adjustable, making this cell design compatible with optical measurement systems incorporating lenses of significantly different focal lengths, e.g., microscope objectives and single element …

Single-Particle Model For A Lithium-Ion Cell: Thermal Behavior, Meng Guo, Godfrey Sikha, Ralph E. White

Faculty Publications

The single-particle model presented by Santhanagopalan et al. [ J. Power Sources , 156 , 620 (2006)] is extended to include an energy balance. The temperature dependence of the solid phase diffusion coefficient of the lithium in the intercalation particles, the electrochemical reaction rate constants, and the open circuit potentials (OCPs) of the positive and negative electrodes are included in the model. The solution phase polarization is approximated using a nonlinear resistance, which is a function of current and temperature. The model is used to predict the temperature and voltage profiles in a lithium-ion cell during galvanostatic operations. The single-particle …

The Effects Of Electricity Pring On Phev Competitiveness, Shisheng Huang, Bri-Mathias S. Hodge, Farzad Taheripour, Joseph F. Pekny, Gintaras V. Reklaitis, Wallace E. Tyner

PPRI Digital Library

Plug-in Hybrid Electric Vehicles (PHEVs) will soon start to be introduced into the transportation sector, thereby raising a host of issues related to their use, adoption and effects on the electricity sector. Their introduction has the potential to significantly reduce carbon emissions from the transportation sector, which has led to government policies aimed at easing their introduction. If their wide-spread adoption is set as a target it is imperative to consider the effects of existing policies that may increase or decrease their adoption rate. In this study, we present a micro level electricity demand model that can gauge the effects …

Nitrogen And Phosphorus Biomass-Kinetic Model For Chlorella Vulgaris In A Biofuel Production Scheme, William M. Rowley

Theses and Dissertations

Chlorella vulgaris was cultured in microbioreactors using Bold’s Basal medium at varying nitrogen and phosphorus concentrations to define nitrogen and phosphorus utilization standards. Nutrient concentration was varied between 137 mg/L to 7.33 mg/L NO3-N and between 55.2 mg/L to11.0 mg/L PO4-P in five test scenarios. All were grown under a constant photoperiod at 22±2 °C and a mixture of 4 to 10% carbon dioxide/air. Maximum yield and growth rate occurred with the highest initial nitrogen and phosphorus concentrations. A statistically significant difference in biomass was found among all test levels at the end of the eight day growth period. Applying …

Electrostatic Quadrupole Plasma Mass Spectrometer Measurements During Thin Film Depositions Using Simultaneous Matrix Assisted Pulsed Laser Evaporation And Magnetron Sputtering, Chad N. Hunter, Michael H. Check, Christopher Muratore, Andrey A. Voevodin

Chemical and Materials Engineering Faculty Publications

A hybrid plasma deposition process, combining matrix assisted pulsed laser evaporation (MAPLE) of carbon nanopearls (CNPs) with magnetron sputtering of gold was investigated for growth of composite films, where 100 nm sized CNPs were encapsulated into a gold matrix. Composition and morphology of such composite films was characterized with x-ray photoelectron spectroscopy, scanning electron microscopy, and transmission electron microscopy (TEM) analysis. Carbondeposits on a gold magnetron sputter target and carbon impurities in the gold matrices of depositedfilms were observed while codepositing from gold and frozen toluene-CNP MAPLE targets in pure argon. Electrostatic quadrupole plasma analysis was used to determine that …

Maximizing The Life Of A Lithium-Ion Cell By Optimization Of Charging Rates, Saeed Khaleghi Rahimian, Sean Rayman, Ralph E. White

Faculty Publications

Using a dynamic optimization method, the optimum charge currents as a function of cycle number during cycling for the lithium-ion cell are obtained. A single particle physics-based model, which includes capacity fade, was applied to simulate the cell performance under low earth-orbit (LEO) cycling conditions. Useful cell life is defined as the number of cycles before the end of discharge voltage drops below 3.0 V or the cell discharge capacity becomes less than 20% of the original discharge capacity. The simulated useful cell life can be increased by ∼29.28% by varying the charge current.

Theoretical Analysis Of Stresses In A Lithium Ion Cell, Sindhuja Renganathan, Godfrey Sikha, Shriram Santhanagopalan, Ralph E. White

Faculty Publications

A mathematical model to simulate the generation of mechanical stress during the discharge process in a dual porous insertion electrode cell sandwich comprised of lithium cobalt oxide and carbon is presented. The model attributes stress buildup within intercalation electrodes to two different aspects: changes in the lattice volume due to intercalation and phase transformation during the charge/discharge process. The model is used to predict the influence of cell design parameters such as thickness, porosity, and particle size of the electrodes on the magnitude of stress generation. The model developed in this study can be used to understand the mechanical degradation …

Chameleon Coatings: Adaptive Surfaces To Reduce Friction And Wear In Extreme Environments, Christopher Muratore, Andrey A. Voevodin

Chemical and Materials Engineering Faculty Publications

Adaptive nanocomposite coating materials that automatically and reversibly adjust their surface composition and morphology via multiple mechanisms are a promising development for the reduction of friction and wear over broad ranges of ambient conditions encountered in aerospace applications, such as cycling of temperature and atmospheric composition. Materials selection for these composites is based on extensive study of interactions occurring between solid lubricants and their surroundings, especially with novel in situ surface characterization techniques used to identify adaptive behavior on size scales ranging from 10−10 to 10−4 m. Recent insights on operative solid-lubricant mechanisms and their dependency upon the ambient environment …

Reduction Of Model Order Based On Proper Orthogonal Decomposition For Lithium-Ion Battery Simulations, Long Cai, Ralph E. White

Faculty Publications

A reduced-order model (ROM) is developed using proper orthogonal decomposition (POD) for a physics-based lithium-ion battery model. The methodology to obtain the proper orthogonal modes and to analyze their optimality is included. The POD-based ROM for a lithium-ion battery is used to simulate a charge/discharge process and the behavior of a battery pack. Compared to the physics-based model, the computational time to solve the ROM is significantly less, and the two models show excellent agreement.

An Infrared Imaging Method For High-Throughput Combinatorial Investigation Of Hydrogenation-Dehydrogenation And New Phase Formation Of Thin Films, H. Oguchi, Jason R. Hattrick-Simpers, I. Takeuchi, E. J. Heilweil, L. A. Bendersky

Faculty Publications

We have developed an infrared imaging setup enabling in situ infrared images to be acquired, and expanded on capabilities of an infrared imaging as a high-throughput screening technique, determination of a critical thickness of a Pd capping layer which significantly blocks infrared emission from below, enhancement of sensitivity to hydrogenation and dehydrogenation by normalizing raw infrared intensity of a Mg thin film to an inert reference, rapid and systematic screening of hydrogenation and dehydrogenation properties of a Mg–Ni composition spread covered by a thickness gradient Pd capping layer, and detection of formation of a Mg₂Si phase in a …

The Effect Of Copt Crystallinity And Grain Texturing On Properties Of Exchange-Coupled Fe/Copt Systems, H. Oguchi, A. Zambano, M. Yu, Jason R. Hattrick-Simpers, D. Banerjee, Y. Liu, Z. L. Wang, J. P. Liu, S. E. Lofland, D. Josell, I. Takeuchi

Faculty Publications

The effect of the crystallinity and the grain texturing of CoPt hard layers on exchange coupled Fe/CoPt soft/hard magnetic systems was studied using gradient thickness multilayer thin films. We have studied the hard layer structures by transmission electron microscopy and x-ray diffraction, and characterized the exchange coupling interaction through magnetization loops obtained by the magneto-optical Kerr effect measurement. We found that exchange coupling strongly depends on the crystalline characteristics of the CoPt hard layer. There is correlation between the mixture of different grain orientations of the CoPt hard layer and coupling efficiency. In particular, interlayer coupling is enhanced when there …

Optimization Of Production, Maintenance, Design And Reliability For Multipurpose Process Plants: An Analysis And Revision Of Models, Christopher L. Mcgann

Renée Crown University Honors Thesis Projects - All

The successful design of multipurpose process plants, which are characterized by their flexibility, is accomplished by maximizing the availability of process units and therefore, the profitability of the process. Maximum availability is achieved through the optimization of the design and production scheduling of a process under constraints relating to equipment maintenance and failure. Mathematical models that incorporate the production scheduling, maintenance scheduling, process design and initial reliability aspects of a process can be optimized in order to maximize availability. These mathematical models are solved through the use of computers. Mathematical process models, presented in the literature and containing the aforementioned …

A Study Of Inhomogeneity Effects On Packed High Performance Liquid Chromatography Columns, Tyler House

Chemical Engineering Undergraduate Honors Theses

The packing quality of a High Performance Liquid Chromatography column has significant impact on the resulting separations. In practice, problems in a packing occur through normal usage of a column. Resulting chromatograms from inhomogeneities exhibit varying problems such as extreme tailing and double peaks. Early detection of such problems is critical to fixing problems before their effect harms efficiency, but a fully developed theory of how inhomogeneities affect separations does not exist. The purpose of this work was to experimentally characterize HPLC column inhomogeneities and to begin preliminary simulations of HPLC columns with the computer simulation package STAR-CD. To do …

Thermal Damage Approach Of Concrete: Application To Specimens Subjected To Combined Compressive And High Temperature Loads, Abdellah Menou, Ghassan Mounajed, Hocine Boussa, Christian La Borderie, Khalid Lafdi

Chemical and Materials Engineering Faculty Publications

Within the framework of study of concrete structures subjected to fire, .a theoretical and experimental work was conducted. The aim of this study was to investigate and to model the damage mechanisms of concrete after their exposure to high temperatures. The multiphase Digital Concrete Model as well as the damage model, MOD EV, which were both implemented on the finiteelem~ rit software package, SYMPHONIE, were used simμltaneously to assess the thermal damage of the concrete. In order to validate the thermal damage model, an experimental investigation was performed. The mechanical characteristics of 5 cementitious materials, which included cement paste, mortar, …

Effect Of Carbon Nanofiber-Matrix Adhesion On Polymeric Nanocomposite Properties—Part Ii, Khalid Lafdi, William Fox, Matthew Matzek, Emel Yildiz

Chemical and Materials Engineering Faculty Publications

A successful integration of two independent phases with good adhesion is imperative for effective translation of superior carbon nanofiber filler properties into a physically superior carbon nanocomposite. Carbon nanofibers were subjected to electrochemical oxidation in 0.1 M nitric acid for varying times.

The strength of adhesion between the nanofiber and an epoxy matrix was characterized by flexural strength and modulus. The surface functional groups formed and their concentration of nanofibers showed a dependence on the degree of oxidation. The addition of chemical functional groups on the nanofiber surface allows them to physically and chemically adhere to the continuous resin matrix. …

Carbon Nanoadditives To Enhance Latent Energy Storage Of Phase Change Materials, Shadab Shaikh, Khalid Lafdi, Kevin P. Hallinan

Chemical and Materials Engineering Faculty Publications

Latent energy storage capacity was analyzed for a system consisting of carbon nanoparticlesdopedphase changematerials (PCMs). Three types of samples were prepared by doping shell wax with single wall carbon nanotubes(SWCNTs), multiwall CNTs, and carbon nanofibers. Differential scanning calorimetry was used to measure the latent heat of fusion. The measured values of latent heat for all the samples showed a good enhancement over the latent heat of pure wax. A maximum enhancement of approximately 13% was observed for the wax/SWCNT composite corresponding to 1% loading of SWCNT. The change in latent heat was modeled by using an approximation for the intermolecular …

Nitrogen And Hydrogen Plasma Treatments Of Multiwalled Carbon Nanotubes, John G. Jones, A. R. Waite, Christopher Muratore, Andrey A. Voevodin

Chemical and Materials Engineering Faculty Publications

This article investigates plasma treatment of vertically aligned multiwall carbon nanotube (CNT) films in different plasma environments for modification of surface chemistry and morphology. The surfaces of the CNTs were functionalized with a pulsed dc plasma treatment, where the power was directly applied to the nanotube film in low pressure argon/nitrogen and argon/hydrogen backgrounds. Optical emission spectroscopy was used to detect atomic and molecular excitations in the gas mixtures as well as in pure gases in the vicinity of the CNT films. In situx-ray photoelectron spectroscopy was performed on the treated samples to examine CNT surface chemistry after treatment. …

Combinatorial Investigation Of Magnetostriction In Fe-Fa And Fe-Ga-Al, Jason R. Hattrick-Simpers, Dwight Hunter, Corneliu M. Craciunescu, Kyu Sung Jang, Makoto Murakami, James Cullen, Manfred Wuttig, Ichiro Takeuchi, Samuel E. Lofland, Leonid Bendersky, Noble Woo, Robert Bruce Vandover, Toshiya Takahashi, Yasubumi Furuya

Faculty Publications

A high-throughput high-sensitivity optical technique for measuringmagnetostriction of thin-film composition-spread samples has been developed. It determines the magnetostriction by measuring the induced deflection of micromachined cantilever unimorph samples. Magnetostrictionmeasurements have been performed on as-deposited Fe–Ga and Fe–Ga–Al thin-film composition spreads. The thin-film Fe–Ga spreads display a similar compositional variation of magnetostriction as bulk. A previously undiscovered peak in magnetostriction at low Ga content was also observed and attributed to a maximum in the magnetocrystalline anisotropy. Magnetostrictive mapping of the Fe–Ga–Al ternary system reveals the possibility of substituting up to 8at.%Al in Fe₇₀Ga₃₀ without significant degradation of magnetostriction.

Enhanced Dielectric Properties In Single Crystal-Like Bifeo3 Thin Films Grown By Flux-Mediated Epitaxy, S.-H. Lim, M. Murakami, J. H. Yang, S.-Y. Young, Jason R. Hattrick-Simpers, M. Wuttig, L. G. Salamanca-Riba, I. Takeuchi

Faculty Publications

We have fabricated single crystal-like BiFeO₃ (BFO) thin films by flux-mediated epitaxy using pulsed laser deposition(PLD). The Bi–Cu–O flux composition and its thickness were optimized using composition spread, thickness gradient, and temperature gradient libraries. The optimized BFO thin films grown with this technique showed larger grain size of ∼2μm and higher dielectric constant in the range of 260–340 than those for standard PLD grown films. In addition, the leakage current density of the films was reduced by two orders of magnitude compared to that of standard PLD grown films.

Parameter Estimation And Life Modeling Of Lithium-Ion Cells, Shriram Santhanagopalan, Qi Zhang, Karthikeyan Kumaresan, Ralph E. White

Faculty Publications

Lithium-ion pouch cells were cycled at five different temperatures (5, 15, 25, 35, and 45°C ), and rate capability studies were performed after every hundred cycles. The data were used with a simple physics-based model to estimate parameters that capture the capacity fade in the cell, with cycling. The weight of active material within each electrode was estimated as a function of time, using rate capability data at the C/33 rate. The C-rate for these cells is 1.656 A. The capacity fade due to the loss of active material and that due to the loss of cyclable lithium …

Thermal Model For A Li-Ion Cell, Karthikeyan Kumaresan, Godfrey Sikha, Ralph E. White

Faculty Publications

A thermal model for a lithium-ion cell is presented and used to predict discharge performance at different operating temperatures. The results from the simulations are compared to experimental data obtained from lithium-ion pouch cells. The model includes a set of parameters (and their concentration and temperature dependencies) that has been obtained for a lithium-ion cell composed of a mesocarbon microbead anode, LiCoO₂ cathode in 1 M LiPF₆ salt, in a mixture of ethylene carbonate, propylene carbonate, ethyl-methyl carbonate, and diethyl carbonate electrolyte. The parameter set was obtained by comparing the model predictions to the experimental discharge profiles obtained …

Analytical Expression For The Impedance Response For A Lithium-Ion Cell, Godfrey Sikha, Ralph E. White

Faculty Publications

An analytical expression to predict the impedance response of a dual insertion electrode cell (insertion electrodes separated by an ionically conducting membrane) is presented. The expression accounts for the reaction kinetics and double-layer adsorption processes at the electrode-electrolyte interface, transport of electroactive species in the electrolyte phase, and insertion of species in the solid phase of the insertion electrodes. The accuracy of the analytical expression is validated by comparing the impedance response predicted by the expression to the corresponding numerical solution. The analytical expression is used to predict the impedance response of a lithium-ion cell consisting of a porous LiCoO …

A Mathematical Model For A Lithium–Sulfur Cell, Karthikeyan Kumaresan, Yuriy Mikhaylik, Ralph E. White

Faculty Publications

A mathematical model is presented for a complete lithium–sulfur cell. The model includes various electrochemical and chemical (precipitation) reactions, multicomponent transport phenomena in the electrolyte, and the charge transfer within and between solid and liquid phases. A change in the porosity of the porous cathode and separator due to precipitation reactions is also included in the model. The model is used to explain the physical reasons for the two-stage discharge profiles that are typically obtained for lithium–sulfur cells.

Signaling Pathways Activated By Interleukin-2 And Interluekin-4 Receptors Mediate T Lymphocyte Clonal Expansion, Kristen K. Comfort

Chemical and Materials Engineering Faculty Publications

Cells sense and respond to chemical and physical stimuli through signal transduction pathways, which mediate cell proliferation, differentiation, migration, and survival. The cytokines interleukin-2 (IL-2) and interleukin-4 (IL-4) are key regulators of the adaptive immune system, particularly influencing the clonal expansion and differentiation of T cells. At least in culture, both synergistic and antagonistic effects of IL-2 and IL-4 co-stimulation have been reported; the antagonism, when observed, is thought to arise from the utilization of a common subunit shared by IL-2 and IL-4 receptors. We have sought to characterize IL-2 and IL-4 signaling at the level of intracellular pathways activated …

Thermal Conductivity Improvement In Carbon Nanoparticle Doped Pao Oil: An Experimental Study, Shadab Shaikh, Khalid Lafdi, Rengasamy Ponnappan

Chemical and Materials Engineering Faculty Publications

The present work involves a study on the thermal conductivity of nanoparticle-oil suspensions for three types of nanoparticles, namely, carbon nanotubes(CNTs), exfoliated graphite (EXG), and heat treated nanofibers (HTT) with PAO oil as the base fluid. To accomplish the above task, an experimental analysis is performed using a modern light flash technique (LFA 447) for measuring the thermal conductivity of the three types of nanofluids, for different loading of nanoparticles.

The experimental results show a similar trend as observed in literature for nanofluids with a maximum enhancement of approximately 161% obtained for the CNT-PAO oil suspension. The overall percent enhancements …

Experimental Study On The Influence Of Foam Porosity And Pore Size On The Melting Of Phase Change Materials, Khalid Lafdi, Osama Mesalam Mesalhy, Shadab Shaikh

Chemical and Materials Engineering Faculty Publications

Experimental study was carried out to study the phase change heat transfer within a composite of phase change material (PCM) infiltrated high thermal conductivity foam. An experimental setup was built to measure the temperature profiles and capture the melting evolution of the PCM inside aluminum foams. Aluminum foams were used as the porous material, and low melting temperature paraffin wax was used as the PCM. It was observed from the results that the system parameters of the wax/foam composite had a significant influence on its heat transfer behavior.

By using higher porosity aluminum foam, the steady-state temperature was reached faster …

Effect Of Carbon Nanofiber Heat Treatment On Physical Properties Of Polymeric Nanocomposites—Part I, Khalid Lafdi, William Fox, Matthew Matzek, Emel Yildiz

Chemical and Materials Engineering Faculty Publications

The definition of a nanocomposite material has broadened significantly to encompass a large variety of systems made of dissimilar components and mixed at the nanometer scale. The properties of nanocomposite materials also depend on the morphology, crystallinity, and interfacial characteristics of the individual constituents. In the current work, vapor-grown carbon nanofibers were subjected to varying heat-treatment temperatures.

The strength of adhesion between the nanofiber and an epoxy (thermoset) matrix was characterized by the flexural strength and modulus. Heat treatment to 1800C∘ demonstrated maximum improvement in mechanical properties over that of the neat resin, while heat-treatment to higher temperatures demonstrated a …

Interfacial And Capillary Pressure Effects On The Thermal Performance Of Wax/Foam Composites, Mohammad Rajab Almajali, Khalid Lafdi, Shadab Shaikh

Chemical and Materials Engineering Faculty Publications

A numerical investigation study was performed to study the phase change behavior of wax/foam composite encapsulated in an aluminum casing. Two types of foam materials, namely, aluminum and carbon, were infiltrated with paraffin wax. The progress of melt interface and temperature distribution within the encapsulated composite was analyzed using computational fluid dynamics software (CFD). A two-energy equation model was implemented in the CFD software through the use of user-defined function (UDF). Interfacial effects influencing the heat transfer process at the casing-composite junction and between the wax-foam surfaces within the composite were addressed through the use of separate UDF. In addition, …

Oxygen Plasma Treatment And Deposition Of Cnx On A Fluorinated Polymer Matrix Composite For Improved Erosion Resistance, Christopher Muratore, Andras Korenyi-Both, John E. Bultman, A. R. Waite, John G. Jones, T. M. Storage, Andrey A. Voevodin

Chemical and Materials Engineering Faculty Publications

The use of polymer matrix composites in aerospace propulsion applications is currently limited by insufficient resistance to erosion by abrasive media. Erosion resistant coatings may provide necessary protection; however, adhesion to many high temperature polymer matrix composite (PMC) materials is poor. A low pressure oxygen plasma treatment process was developed to improve adhesion of CNx coatings to a carbon reinforced, fluorinated polymer matrix composite. Fullerene-like CNx was selected as an erosion resistant coating for its high hardness-to-elastic modulus ratio and elastic resilience which were expected to reduce erosion from media incident at different angles (normal or glancing) relative to the …

Accelerated Testing Method For Pem Fuel Cell Based Uninterrupted Power Supply Systems, Xinyu Huang, Xiaofeng Wang

Faculty Publications

Proton exchange membrane fuel cell based power systems are on the verge of commercialization for a number of niche applications where batteries are traditionally used. Uninterrupted power supply (UPS) for wireless communication towers and broadband network relay utilities is one of the targeted application of fuel cell power systems with capacity ranging from one to serveral kilowatts. It is believed that fuel cell based UPS systems can offer considerable advantage when extended backup time is desirable. In order to replace the well-known battery based UPS systems, the reliability and perofrmance of fuel cell based UPS system need to be thoroughly …