Chemical Engineering Commons^™

Entropic Depletion Of Dna In Triangular Nanochannels, Wesley F. Reinhart, Douglas R. Tree, Kevin D. Dorfman

Faculty Publications

Using Monte Carlo simulations of a touching-bead model of double-stranded DNA, we show that DNA extension is enhanced in isosceles triangular nanochannels (relative to a circular nanochannel of the same effective size) due to entropic depletion in the channel corners. The extent of the enhanced extension depends non-monotonically on both the accessible area of the nanochannel and the apex angle of the triangle. We also develop a metric to quantify the extent of entropic depletion, thereby collapsing the extension data for circular, square, and various triangular nanochannels onto a single master curve for channel sizes in the transition between the …

A Steady-State Detection (Ssd) Algorithm To Detect Non-Stationary Drifts In Processes, Jeff Kelly, John Hedengren

Faculty Publications

Detecting windows or intervals of when a continuous process is operating in a state of steadiness is useful especially when steady-state models are being used to optimize the process or plant on-line or in real-time. The term steady-state implies that the process is operating around some stable point or within some stationary region where it must be assumed that the accumulation or rate-of-change of material, energy and momentum is statistically insignificant or negligible. This new approach is to assume the null-hypothesis that the process is stationary about its mean subject to independent and identically distributed random error or shocks (white-noise) …

Three-Dimensional Engineered Matrix To Study Cancer Stem Cells And Tumorsphere Formation: Effect Of Matrix Modulus, Xiaoming Yang, Samaneh Kamali Sarvestani, Seyedsina Moeinzadeh, Xuezhong He, Esmaiel Jabbari

Faculty Publications

Maintenance of cancer stem cells (CSCs) is regulated by the tumor microenvironment. Synthetic hydrogels provide the flexibility to design three-dimensional (3D) matrices to isolate and study individual factors in the tumor microenvironment. The objective of this work was to investigate the effect of matrix modulus on tumorsphere formation by breast cancer cells and maintenance of CSCs in an inert microenvironment without the interference of other factors. In that regard, 4T1 mouse breast cancer cells were encapsulated in inert polyethylene glycol diacrylate hydrogels and the effect of matrix modulus on tumorsphere formation and expression of CSC markers was investigated. The gel …

An In Situ Ftir Spectroelectrochemical Study On Methanol Oxidation At Pt-Mo2C/Gc Catalyst, Hai-Ping Huang, Xi-Yu Yao, Pei-Kang Shen

Journal of Electrochemistry

A 40% Pt on Mo₂C/GC catalyst has been prepared by ion exchange method. The mechanism of methanol electrooxidation on Pt-Mo₂C/GC and commercial Pt/C catalysts in acidic media was studied by cyclic voltammetry, XRD measurements and in-situ Fourier transform infrared spectroelectrochemistry. The results revealed that the Pt nanoparticles were uniformly dispersed on Mo₂C/GC with an average particle size of 3 nm. The cyclic voltammetric and chronopotentiometric experiments indicated that Pt-Mo₂C/GC catalyst exhibited a better performance for methanol oxidation than that of Pt/C in acid solution. A negative shift over 90 mV of the …

Oxygen Reduction Reaction On Glycin Modified Pt(111) Electrode, Ming-Fang Li, Jing Kang, Ling-Wen Liao, Yan-Xia Chen, Shen Ye

Journal of Electrochemistry

O

xygen reduction reaction (ORR) on glycin (NH₂CH₂COOH) modified Pt(111) electrode has been investigated using hanging meniscus rotating disk electrode system (HMRD) in 0.05 mol•L^-1 H₂SO₄ and 0.1 mol•L^-1 HClO₄ solutions, respectively. Cyclic voltammograms of the glycin modified Pt (111) electrode measured in 0.05 mol•L^-1 H₂SO₄ solution similar to that of CN^- modified Pt(111) electrodes, demonstrating that sulfate adsorption is strongly inhibited at the glycin modified Pt(111). From the polarization curve of ORR recorded in 0.05 mol•L^-1 H₂SO₄ solution, it is …

Effect Of Ti/Pbo2 Electrodes Doped With Different Elements On Electrocatalytic Oxidation Characteristics Of Phenol, Xiao-Lei Liu, Yuan-Yuan Dan, Hai-Yan Lu, Hai-Bo Lin, Ming-Li Ouyang, Chuan-Jun Yun

Journal of Electrochemistry

Three types of electrodes, namely, Ti/PbO₂, F-doped PbO₂ (Ti/PbO₂-F) and nano-Co₃O₄-doped PbO₂ (Ti/PbO₂+Nano-Co₃O₄) electrodes, were prepared by electro-deposition method on the Ti substrate with the interlayer of SnO₂-Sb₂O₅. X-ray diffraction (XRD) and scanning electron microscopy (SEM) were used to study the compositions, structures and film morphologies of the electrodes. Electrocatalytic oxidation characteristics to phenol on the prepared electrodes were investigated by electrochemical method. The experimental results showed that compared with the Ti/PbO₂ electrode, the potentials of oxygen …

A Dft Calculation Screening Of Pt-Based Bimetallic Catalysts For Oxygen Reduction, Li-Hui Ou, Sheng-Li Chen

Journal of Electrochemistry

Developing Pt-lean catalysts for oxygen reduction reaction (ORR) is the key for large-scale application of proton exchange membrane fuel cell (PEMFC). In this paper, we have proposed a multiple-descriptor strategy for screening efficient and durable ORR alloy catalysts of low Pt content. We argue that an ideal Pt-based bimetallic alloy catalyst for ORR should possess simultaneously negative alloy formation energy, negative surface segregation energy of Pt and a lower oxygen binding ability than pure Pt. By performing detailed DFT calculations on the thermodynamics, surface chemistry and electronic properties of various Pt-M alloys (M refers to non-precious transition metals in the …

Advances In The Synthesis Of Zno Nanomaterials For Varistor Devices, Suresh Pillai, John M. Kelly, Raghavendra Ramesh, Declan Mccormack

Articles

ZnO based varistors are widely used for overvoltage protection in many electrical and electronic circuits, at voltages ranging from a few to over a million volts. By careful control of the microstructure, through nanostructuring by chemical routes, it should be possible to produce varistors with high breakdown voltage (Vc), as this is proportional to the number of active grain boundaries in the sintered body. This property is particularly important for the production of the small-sized varistors needed for modern electronic instruments such as tablet computers and mobile phones. The current review will outline the recent advances in the chemical processing …

Carbothermal Synthesis Of Titanium Oxycarbide As Electrocatalyst Support With High Oxygen Evolution Reaction Activity, Kan Huang, Yunfeng Li, Yangchuan Xing

Chemical and Biochemical Engineering Faculty Research & Creative Works

Carbothermal reduction of semiconducting TiO₂ into highly conductive titanium oxycarbide (TiOxCy) was investigated. The thermally produced uniform carbon layer on TiO₂ (Degussa P25) protects the TiO₂ nanoparticles from sintering and, at the same time, supplies the carbon source for doping TiO₂ with carbon. At low temperatures (e.g., 700 °C), carbon only substitutes part of the oxide and distorts the TiO₂ lattice to form TiO₂-xCx with only substitutional carbon. When the carbon-doped TiO₂ is annealed at a higher temperature (1100 °C), x-ray diffraction and x-ray photoelectron spectroscopy results showed that TiOxCy, a solid …

Picture Of A Chelate In Exchange: The Crystal Structure Of Nahodotma, A 'Semi'-Hydrated Chelate, Katherine M. Payne, Edward J. Valente, Silvio Aime, Mauro Botta, Mark Woods

Chemistry Faculty Publications and Presentations

Crystallography generally only provides static structural information. This can render it an ineffective technique for probing dynamic solution state processes. A crystal of HoDOTMA affords unique structures that effectively represent that of a lanthanide tetra-acetate chelate mid-way through the water exchange process.

Numerical Evaluation Of The Stability Of Stationary Points Of Index-2 Differential-Algebraic Equations: Applications To Reactive Flash And Reactive Distillation Systems, D. A. Harney, T. K. Mills, N. L. Book

Chemical and Biochemical Engineering Faculty Research & Creative Works

The dynamic behavior of many chemical processes can be represented by an index-2 system of differential-algebraic equations. This index can be reduced by differentiation, but unfortunately the index reduced systems are not guaranteed to possess the same stability characteristics as that of the original system. When the set of differential-algebraic equations can be written in Hessenberg form, the matrix pencil of the linearized system can be used to directly evaluate the stability of a steady state without the need for index reduction. Direct evaluations of stability of reactive flash and reactive distillation are presented. It is also shown that a …

A New Method For Online Flow Regime Monitoring In Bubble Column Reactors Via Nuclear Gauge Densitometry, Ashfaq Shaikh, Muthanna H. Al-Dahhan

Chemical and Biochemical Engineering Faculty Research & Creative Works

In the Current Work, Nuclear Gauge Densitometry (NGD), Which is Commercially Available and Industrially Used for Liquid/slurry Level Measurement and Control, Has Been Employed to Identify Fingerprints of the Prevailing Hydrodynamic Flow Regime. Experiments Were Performed using an Air-Water System in 0.1012. M Diameter and 1.2. M Long Bubble Column at Ambient Pressure. the Superficial Gas Velocities Were Varied from 1. Cm/s to 12. Cm/s with an Interval of 0.5. Cm/s Near Transition Region. the Flow Regime Boundaries Were Defined using the Conventional Methods of Flow Regime Demarcation Such as the Change in the Slope of the overall Gas Holdup …

Microkinetic Modeling And Analysis Of Ethanol Partial Oxidation And Reforming Reaction Pathways On Platinum At Short Contact Times, Maura A. Koehle

Master's Theses

No abstract provided.

Particle Shape Enhances Specificity Of Antibody-Displaying Nanoparticles, Sutapa Barua, Jin-Wook Yoo, Poornima Kolhar, Aditya Wakankar, Yatin R. Gokarn, Samir Mitragotri

Chemical and Biochemical Engineering Faculty Research & Creative Works

Monoclonal antibodies are used in numerous therapeutic and diagnostic applications; however, their efficacy is contingent on specificity and avidity. Here, we show that presentation of antibodies on the surface of nonspherical particles enhances antibody specificity as well as avidity toward their targets. Using spherical, rod-, and disk-shaped polystyrene nano- and microparticles and trastuzumab as the targeting antibody, we studied specific and nonspecific uptake in three breast cancer cell lines: BT-474, SK-BR-3, and MDA-MB-231. Rods exhibited higher specific uptake and lower nonspecific uptake in all cells compared with spheres. This surprising interplay between particle shape and antibodies originates from the unique …

Comparison Of A Sio2-Cao-Zno-Sro Glass Polyalkenoate Cement To Commercial Dental Materials: Glass Structure And Physical Properties, A. W. Wren, A. Coughlan, F. R. Laffir, Mark R. Towler

Chemical and Biochemical Engineering Faculty Research & Creative Works

Glass polyalkenoate cements (GPCs) have previously been considered for orthopedic applications. A Zn-GPC (BT 101) was compared to commercial GPCs (Fuji IX and Ketac Molar) which have a setting chemistry analogous to BT 101. Handling properties (working, T_w and setting, T_s times) for BT 101 were shorter than the commercial GPCs. BT 101 also had a higher setting exotherm (S_x - 34 °C) than the commercial GPCs (29 °C). The maximum strengths for BT 101, Fuji IX, and Ketac Molar were 75, 238, and 216 MPa (compressive, σ_c), and 34, 54, and 62 MPa (biaxial …

Separation Of Various Organic-Organic And Aqueous-Organic Solutions Via Pervaporation, John Tang

Dissertations

Pervaporation, an energy saving separation process, can be useful in pharmaceutical processing. However, the organic solvents involved in pharmaceutical product synthesis are chemically demanding; very few polymers are able to withstand them. An ideal membrane would be polymeric having a high thermal, chemical and mechanical stability. Such a membrane is made of a copolymer of polydimethyldioxole and tetrafluoroethylene known as PDD-TFE of the CMS-3 variety with a very high free volume. This novel membrane is used to separate a variety of organic-organic and aqueous-organic mixtures. An earlier study based on water-ethanol-isopropanol has shown evidence that the membrane selectivity may be …

Particle Engineering Via Surface Modification During Micronization For Pharmaceutical Applications, Xi Han

Dissertations

Improving the dissolution rate of Biopharmaceutics Classification System (BCS) class II drugs is an important research area. Micronization which can increase the specific surface area is a promising method to improve the dissolution rate. Micronization alone, however, can lead to downstream processing problems related to poor flow and dispersion properties. The importance of the flowability of pharmaceutical powders is well-documented in the literature. It is, therefore, important to develop a method that can simultaneously overcome these processing issues and allow for micronizing the API. In this work, dry particle coating technique is investigated in the context of micronizing API powders …

Mathematical Modeling Of Heavy Metals Diffusion And Removal From Cylindrical Cement Forms Coated With Bio-Film, Mojdeh Tabatabaie

Dissertations

A mathematical model is developed to predict bioleachi ng of heavy metals from long cylindrical shape cementitious samples. In this model, the metal concentration difference within the solid and its surface is considered as the main driving force for transport of metals to the surface of a sample at a given temperature and pressure. Fick’s first and second law are applied to explain the motion of contaminants in a long and uniform cylindrical solid. In addition, the model considers Michaelis-Menten type kinetics, a special case of the widely accepted Langmuir-Hinshelwood reaction mechanism, at the surface of the encapsulating cylinder. The …

Multifunctional Oxidation Electrocatalysts For Direct Alkaline Fuel Cells, Ulises Martinez

Chemical and Biological Engineering ETDs

The need for the development of new technologies to reduce our dependence on fossil fuels requires the combination of different energy sources such as wind, solar, nuclear as well as new energy storage and powering devices. Amongst these new technologies fuel cells are a promising technology capable of transforming chemical energy stored in fuels into electric power at higher efficiencies than combustion processes. However, the commercialization of fuel cells has been limited due to the high costs associated with electrocatalysts needed for the corrosive environments in which proton-exchange membrane fuel cells operate. Electrocatalysts for such fuel cells are based on …

Impact Of Carbon Support Chemistry, Morphology, And Structure On Platinum Catalyst Durability For Pemfc Applications, Anant Patel

Chemical and Biological Engineering ETDs

Polymer electrolyte membrane fuel cells are a promising alternative energy source, capable of being deployed as successful replacements in many stationary and mobile applications. These devices, however, lack durability, and this has become one of the limiting factors for commercialization. Many projects have focused on finding ways to improve their lifetimes, but few have tried to examine the underlying causes behind their corrosion. The goal of this project was to identify which parameters have a significant impact, both positive and negative, on PEMFC durability. To do this, three series of samples were analyzed using microscopic, spectroscopic, and electrochemical methods. Electron …