Engineering Commons^™

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 …

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

Honors Capstone 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 …

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, …

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 …

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. …

Seven-Coordinate Ruthenium Atoms Sequestered In Praseodymium Clusters In The Chloride {Rupr3}Cl3, Nina Hermann, Anja V. Mudring, Gerd Meyer

Anja V. Mudring

The first example for an endohedral transition-metal atom (Ru) sequestered in a seven-coordinate surrounding of rare-earth metal atoms (Pr) has been found for {RuPr3}Cl3. The monocapped trigonal prisms of Pr atoms share two rectangular faces, forming a zigzag chain with Ru−Ru distances of 308 pm. Intracluster bonding is dominated by Ru−Pr bonding with very little Ru−Ru bonding.

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. …

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 …

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 …

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.

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.

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 …

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.