Chemical Engineering Commons^™

Influence Of Carbon Nanofillers On The Curing Kinetics Of Epoxy-Amine Resin, Luigi Vertuccio, Salvatore Russo, Marialuigia Raimondo, Khalid Lafdi, Liberata Guadagno

Chemical and Materials Engineering Faculty Publications

The cure kinetics of an epoxy resin based on the tetrafunctional epoxy precursor N,N′-tetraglycidyl methylene dianiline-(TGMDA) hardened with 4,4-diaminodiphenyl sulfone is investigated. The influence of carbon nanofillers (carbon nanotubes, carbon nanofibers, and graphene based nanoparticles) on the cure kinetic is studied. Kinetic analysis is performed by dynamic and isothermal differential scanning calorimetry (DSC).

In dynamic experiments, the activation energy was computed using an advanced isoconversional method while under isothermal conditions, the Kamal’s model of diffusion control was applied to simulate the systems throughout the curing process. The isothermal analysis shows that the introduction of the diluent decreases, …

Synthesis, Characterisation, Electrochemical, And Spectroscopic Studies Of Cobaloximes: Unique Clues Of Cobalt(I) Species In Various Solvents, Michael John Celestine

Chemistry & Biochemistry Theses & Dissertations

With the dwindling amount of fossil fuels in the world’s reserve is said to run out in the future. The use of alternative fuels such as hydrogen can be produced from renewable sources. One source is the use of first row transition metal complexes that can harness the power of the sun to reduce protons to hydrogen. In this thesis we investigated a well-known hydrogen evolution catalyst in a quest to understand the behavior of different oxidation states that occur during the catalytic cycle.

In an attempt to synthesize a binuclear ruthenium(II) complex, [{Ru(phen)2}2{µmes(1,4-phO-Izphen)3}](PF6)4, as a possible photosensitizer for the …

Gasification Of Coal And Heat Integration Modification For Igcc - Integrated Gasification Combined Cycle, Dalia A. Ali Eng, Mamdouh A. Gadalla Prof., Fatma H. Ashour Prof.

Chemical Engineering

Use of energy is closely related to the development of an economy. The most useful form of energy in the modern world is electricity. IGCC has higher fuel flexibility (biomass, refinery residues, petroleum coke, etc.) and generates multiple products (electricity, hydrogen and chemicals like methanol and higher alcohols) and by-products - sulphur, sulphuric acid, slag, etc. IGCC plants include coal preparation unit, air separation unit (ASU) to separate oxygen from air to use it in the gasification process, gasification unit where an incomplete combustion for coal is made to produce Syngas, cleaning unit to remove acid gases and CO2 from …

Conference Program And Abstracts, Nicolas Abatzoglou, Sascha Kersten, Dietrich Meier

Biorefinery I: Chemicals and Materials From Thermo-Chemical Biomass Conversion and Related Processes

No abstract provided.

A Framework For An Economic Model Of Novel Process For The Fractionation Of Dried Distillers Grain With Solubles, R. Zakrzewski, K. Gounaropoulos, R. Allmendinger, M. Villegas Torres, C. Ibenegbu, R. Roque, S. Farid, J. Ward, G. Lye

Biorefinery I: Chemicals and Materials From Thermo-Chemical Biomass Conversion and Related Processes

No abstract provided.

Elevated Test Pressure Significantly Reduces Dynamic Accumulation Oxygen Transmission Rate (Astm F3136) Measurement Time For Barrier Packaging Films, Bruce A. Welt

Journal of Applied Packaging Research

Measurement of gas transmission rates of materials is important for successful package design. The dynamic accumulation (DA) method (ASTM F3136) is becoming increasingly popular for measuring oxygen transmission rate (OTR) due to its simplicity and low cost. However, measurement time increases with barrier properties of materials, limiting measurement throughput. A dynamic accumulation measurement prototype capable of operating up to 1,000 psig was developed in order to accelerate gas transfer by boosting concentration gradients via elevated absolute pressures. Results show that measurement results were independent of test pressure while measurement times were substantially reduced. These results also suggest that gas transmission …

Hybrid Dynamic Optimization Methods For Systems Biology With Efficient Sensitivities, Nicholas Lewis, John Hedengren, Eric Haseltine

Faculty Publications

In recent years, model optimization in the field of computational biology has become a prominent area for development of pharmaceutical drugs. The increased amount of experimental data leads to the increase in complexity of proposed models. With increased complexity comes a necessity for computational algorithms that are able to handle the large datasets that are used to fit model parameters. In this study the ability of simultaneous, hybrid simultaneous, and sequential algorithms are tested on two models representative of computational systems biology. The first case models the cells affected by a virus in a population and serves as a benchmark …

Structural And Functional Characterization Of A Lytic Polysaccharide Monooxygenase With Broad Substrate Specificity, Anna S. Borisova, Trine Isaksen, Maria Dimarogona, Abhishek A. Kognole, Geir Mathiesen, Anikó Várnai, Åsmund K. Røhr, Christina M. Payne, Morten Sørlie, Mats Sandgren, Vincent G. H. Eijsink

Chemical and Materials Engineering Faculty Publications

The recently discovered lytic polysaccharide monooxygenases (LPMOs) carry out oxidative cleavage of polysaccharides and are of major importance for efficient processing of biomass. NcLPMO9C from Neurospora crassa acts both on cellulose and on non-cellulose β-glucans, including cellodextrins and xyloglucan. The crystal structure of the catalytic domain of NcLPMO9C revealed an extended, highly polar substrate-binding surface well suited to interact with a variety of sugar substrates. The ability of NcLPMO9C to act on soluble substrates was exploited to study enzyme-substrate interactions. EPR studies demonstrated that the Cu²⁺ center environment is altered upon substrate binding, whereas isothermal titration …

Interplays Of Co2, Subnanometer Metal Clusters, And Tio2: Implications For Catalysis And Co2 Photoreduction, Chi-Ta Yang

USF Tampa Graduate Theses and Dissertations

This research is motivated by two significant challenges facing the planet: reducing the emission of CO₂ to the atmosphere and production of sustainable fuels by harnessing solar energy. The main objective of this work is the study of promising photocatalysts for CO₂ reduction. DFT modeling of CO₂, subnanometer Ag&Pt clusters, and anatase TiO2 (101) surface is employed to gain fundamental understanding of the catalytic process, followed by validation using a guided experimental endeavor. The binding mechanism of CO₂ on the surface is investigated in detail to gain insights into the catalytic activity and to assist …

An Investigation On The Band Gap And Band Edge Of Semi-Conducting Lanthanum Transition Metal Perovskites For Photocatalytic Applications, Divya Suresh

USF Tampa Graduate Theses and Dissertations

For the past few decades, a frenzy of attention has been given towards the development of an assortment of photocatalysts as a solution for various environmental problems. TiO2 is the most widely used photocatalyst. TiO2 is biocompatible, chemically and thermally stable but TiO2 and a vast majority other photocatalysts have large band gaps, and hence they find applicability only in the UV region of the solar spectrum. These large band gap photocatalysts suffer a severe limitation with regard to their overall process efficiency as the UV region contributes to about 3 to 4 % of the solar spectrum in terms …

Applications Of Optical Properties From Nanomaterials For Enhanced Activity Of A Titania Photocatalyst Under Solar Radiation, Jon W. Pickering

USF Tampa Graduate Theses and Dissertations

In recent years, employing advanced oxidation processes (AOPs) as a means of wastewater remediation has emerged as a promising route towards maintaining a sustainable global water management program. The heterogeneous photocatalytic oxidation process has been of particular interest due to the prospective of utilizing solar radiation as the driving force behind the degradation of pollutants. Of the photocatalyst studied to date, TiO2 remains the most attractive material for environmental applications due to its affordability, stability, biocompatibility and high quantum yield. A key draw back however is roughly only 5% of solar radiation incident on earth can provide the energy required …

Topographical Enhancement Of Cell Adhesion On Poorly Adhesive Materials, Maritza Muniz Maisonet

USF Tampa Graduate Theses and Dissertations

The overall thrust of this dissertation is to gain a fundamental understanding of the synergistic effects between surface topography and chemical functionality of poorly adhesive materials on enhancing the adhesion of mouse embryonic fibroblasts. Cellular response to surface topography and chemical functionality have been extensively studied on their own providing valuable information that helps in the design of new and improved biomaterials for tissue engineering applications. However, there is a lack of understanding of the synergistic effect of microscale and nanoscale topography with chemical functionality and the relative impact and contribution of each in modulating cellular behavior. By understanding the …

Morphology Of Nanoporous Carbon-Binder Domains In Li-Ion Batteries—A Fib-Sem Study, Severin Vierrath, Lukas Zielke, Riko Moroni, Andrew Mordon, Dean R. Wheeler, Roland Zengerle, Simon Thiele

Faculty Publications

FIB-SEM tomography is used to reconstruct the carbon-binder domain (CBD) of a LiCoO2 battery cathode (3.9 × 5 × 2.3 μm3) with contrast enhancement by ZnO infiltration via atomic layer deposition. We calculate the porosity inside the CBD (57.6%), the cluster-size distribution with a peak at 54 nm, and the pore-size distribution with a peak at 64 nm. The tortuosities of the pore space (1.6–2.0) and the CBD (2.3–3.5) show a mild anisotropy, which is attributed to the fabrication process. A comparison to a modeled homogenous CBD reveals that clustering in the CBD decreases its electronic conductivity while increasing …

The Study Of Plga Drug Delivery Systems: Implications For Management Of Crohn’S Disease, Christin Pramudiati

Kaleidoscope

The purpose of this research is to develop biodegradable drug delivery systems. One of the delivery systems that we have developed is a suture-like structure for the treatment of Crohn’s disease that utilizes a biodegradable polymer, poly(DL-lactideco-glycolide) acid (PLGA). Crohn’s disease is an inflammatory bowel condition. Aside from the gut involvement, perianal complications develop in the form of enterocutaneous fistulas. Medical management of Crohn’s disease consists of various drugs with immunosuppressive properties. Complicated disease manifestation requires surgical interventions in the form of bowel resection or fistula drainage with Setons. Setons are suture-like devices that help to drain associated abscesses and …

Investigation Of Calcium Orthophosphate Chemical Effects In A Post-Loca Nuclear Reactor Containment, Sterling Olson

Chemical and Biological Engineering ETDs

Calcium leached from NUKON fiberglass in containment following a Loss of Coolant Accident (LOCA) could lead to the formation of chemical precipitates that in turn cause head-loss increase due to filtering through a fibrous debris accumulation at the sump pump screens. Experiments conducted on the bench scale show that the level of fiberglass destruction does not affect the concentration of calcium leached. Reduced-scale experiments were conducted on three solution inventory scales (0.5 L, 31.5 L, 1136 L) with three different flow conditions, and two fiberglass concentrations to investigate calcium release from NUKON fiber. Results showed that the calcium leached at …

An Improved Statistical Analysis For Predicting The Critical Temperature And Critical Density With Gibbs Ensemble Monte Carlo Simulation, Richard A. Messerly, Richard L. Rowley, Thomas A. Knotts Iv, W Vincent Wilding

Faculty Publications

A rigorous statistical analysis is presented for Gibbs ensemble Monte Carlo simulations. This analysis reduces the uncertainty in the critical point estimate when compared with traditional methods found in the literature. Two different improvements are recommended due to the following results. First, the traditional propagation of error approach for estimating the standard deviations used in regression improperly weighs the terms in the objective function due to the inherent interdependence of the vapor and liquid densities. For this reason, an error model is developed to predict the standard deviations. Second, and most importantly, a rigorous algorithm for nonlinear regression is compared …

The Effect Of Surface Modification Of Aligned Poly-L-Lactic Acid Electrospun Fibers On Fiber Degradation And Neurite Extension, Nicholas J. Schaub, Clémentine Le Beux, Jianjun Miao, Robert J. Linhardt, Johan G. Alauzun, Danielle Laurencin, Ryan J. Gilbert

Chemical and Biochemical Engineering Faculty Research & Creative Works

The surface of aligned, electro spun poly-L-lactic acid (PLLA) fibers was chemically modified to determine if surface chemistry and hydrophilicity could improve neurite extension from chick dorsal root ganglia. Specifically, diethylenetriamine (DTA, for amine functionalization), 2-(2-aminoethoxy) ethanol (AEO, for alcohol functionalization), or GRGDS (cell adhesion peptide) were covalently attached to the surface of electro spun fibers. Water contact angle measurements revealed that surface modification of electro spun fibers significantly improved fiber hydrophilicity compared to unmodified fibers (p < 0.05). Scanning electron microscopy (SEM) of fibers revealed that surface modification changed fiber topography modestly, with DTA modified fibers displaying the roughest surface structure. Degradation of chemically modified fibers revealed no change in fiber diameter in any group over a period of seven days. Unexpectedly, neurites from chick DRG were longest on fibers without surface modification (1651 ± 488 μm) and fibers containing GRGDS (1560 ± 107 μm). Fibers modified with oxygen plasma (1240 ± 143 μm) or DTA (1118 ± 82 μm) produced shorter neurites than the GRGDS or unmodified fibers but were not statistically shorter than unmodified and GRGDS modified fibers. Fibers modified with AEO (844 ± 151 μm) were significantly shorter than unmodified and GRGDS modified fibers (p< 0.05). Based on these results, we conclude that fiber hydrophilic enhancement alone on electro spun PLLA fibers does not enhance neurite outgrowth. Further work must be conducted to better understand why neurite extension was not improved on more hydrophilic fibers, but the results presented here do not recommend hydrophilic surface modification for the purpose of improving neurite extension unless a bioactive ligand is used.

A Numerical Comparison Of Precipitating Turbulent Flows Between Large-Eddy Simulation And One-Dimensional Turbulence, Alex W. Abboud, Ben B. Schroeder, Tony Saad, Sean T. Smith, Derek D. Harris, David O. Lignell

Faculty Publications

This study presents the results of computational fluid dynamics simulations of a multiphase, reacting, turbulent mixing layer in an idealized geometry. The purpose is to compare large-eddy simulation (LES) to one-dimensional turbulence (ODT) and examine the trends of the flow under differing mixing conditions. Aqueous streams are mixed together to precipitate polymorphs of calcium carbonate. The polymorphs of calcium carbonate are tracked numerically using population balance equations (PBE). Each PBE contains all of the relevant physical models to track the particle evolution including nucleation, growth, and aggregation. A simple subgrid mixing model that is convenient for use with PBEs was …

Local Time-Averaged Gas Holdup In Fluidized Bed Reactor Using Gamma Ray Computed Tomography Technique (Ct), Abdelsalam Efhaima, Muthanna H. Al-Dahhan

Chemical and Biochemical Engineering Faculty Research & Creative Works

Many Invasive and Non-Invasive Techniques Have Been Used to Analyze the Hydrodynamics of Fluidized Beds. in This Study, the Effect of Superficial Gas Velocity and Bed Particle Density on the Hydrodynamics of Gas–solid Fluidized Beds Was Investigated by using a Cylindrical Plexiglas Fluidized Bed Column, 14 Cm in Diameter. Air at Room Temperature Was Used as the Fluidizing Gas and Two Different Geldart Type-B Particles Were Used: Glass Beads and Copper Particles with Material Densities of 2.5 and 5.3 G/cm3, Respectively, with the Same Size Particle, 210 µm. to Measure the Time-Averaged Cross-Sectional Gas and Solid Holdup Distribution, Gamma Ray …

An Improved Dynamic Particle Packing Model For Prediction Of The Microstructure In Porous Electrodes, Chien-Wei Chao

Theses and Dissertations

The goal of this work is to develop a model to predict the microstructure of Li-ion batteries, specifically focusing on the cathode component of the batteries. This kind of model has the potential to assist researchers and battery manufacturers who are trying to optimize the capacity, cycle life, and safety of batteries. Two dynamic particle packing (DPP) microstructure models were developed in this work. The first is the DPP1 model, which simulates the final or dried electrode structure by moving spherical particles under periodic boundaries using Newton's laws of motion. The experience derived from developing DPP1 model was beneficial in …