Engineering Commons^™

Multicellular Models Bridging Intracellular Signaling And Gene Transcription To Population Dynamics, Mohammad Aminul Islam, Satyaki Roy, Sajal K. Das, Dipak Barua

Computer Science Faculty Research & Creative Works

Cell signaling and gene transcription occur at faster time scales compared to cellular death, division, and evolution. Bridging these multiscale events in a model is computationally challenging. We introduce a framework for the systematic development of multiscale cell population models. Using message passing interface (MPI) parallelism, the framework creates a population model from a single-cell biochemical network model. It launches parallel simulations on a single-cell model and treats each stand-alone parallel process as a cell object. MPI mediates cell-to-cell and cell-to-environment communications in a server-client fashion. In the framework, model-specific higher level rules link the intracellular molecular events to cellular …

Experimental Investigation On Heat Transfer In A Prismatic Modular Reactor Under Cosine Heat Flux, S. M. Alshehri, I. A. Said, Muthanna H. Al-Dahhan, Shoaib Usman

Chemical and Biochemical Engineering Faculty Research & Creative Works

The current study has investigated natural convection heat during pressurized conduction cooldown (PCC) accident scenario to understand the passive safety features of prismatic modular reactors (PMR) under different intensities of nonuniform center peaking step heat flux distributions (approximating cosine shape) using an advanced fast-response heat transfer technique. A scaled-down PMR module was designed and developed at Missouri S&T by the research team of the Multiphase Reactors Engineering and Applications Laboratory (mReal). The module consists of upper and lower plena connected by heated and cooled channels. Nonuniform heat flux distribution was applied to the heated channel under nonuniform heating center peaking …

Establishment And Application Of Fractal Capillary Tube Bundle Model Of Porous Media, Zhonghua Liu, Jianing Shen, Qianhua Xiao, Zhongpei Ding, Shunpeng Zeng, Baojun Bai

Geosciences and Geological and Petroleum Engineering Faculty Research & Creative Works

In view of the problem of statistical regression constant in the model of capillary tube bundles in the porous media, a capillary bundle percolation model with fractal geometry was reconstructed. The function expressions of the fractal coefficient and Kozeny constant were deduced. The relationship between the macroscopic fractal properties of porous media and the fractal dimension and the micro pore parameters were obtained. Results show: Fractal coefficient is a function of fractal dimension, maximum pore radius and minimum pore radius; The macroscopic physical properties of porous media are a function of the fractal dimension and the radius of the capillary …

Analysis Of Particle Behavior Inside The Classifier Of A Raymond Bowl Mill While Co-Milling Woody Biomass With Coal, Seyedhassan Fakourian, Andrew R. Fry, Tanner Jasperson

Faculty Publications

Woody biomass cofiring with coal at existing pulverized-coal boilers is known to be a green energy source and is a low-expense alternative for pure coal combustion. Co-milling woody biomass particles (15 wt%) with coal particles (85 wt%) before burning at a boiler is a complex problem because large woody biomass particles (>300 μm) exit the milling system along with the fine particles. A Computational Particle Fluid Dynamics (CPFD) is used in this paper to present a novel analysis about the behavior of woody biomass particles as they are mixed with coal particles inside the classifier. To meet this …

Recent Process In Transition-Metal-Oxide Based Catalysts For Oxygen Reduction Reaction, Yao Wang, Zi-Dong Wei

Journal of Electrochemistry

Transition metal oxides (TMOs) based catalysts have become the most promising catalysts to be employed in anion exchange membrane fuel cell for the sluggish oxygen reduction reaction (ORR). However, their ORR activity is still far from that of the Pt-based catalysts. Therefore, it is important to develop high performance TMO based catalysts. Electrical conductivity and intrinsic activity have been regarded as the two keys to affect the ORR activity of the TMOs based catalysts. In this review, we focused on the recent progresses in the fundamental viewpoints on the electrical conductivity and intrinsic activity of the TMOs based ORR catalysts. …

Recent Advances In Non-Noble Metal Nanomaterials For Oxygen Evolution Electrocatalysis, Dan-Dan Zhao, Nan Zhang, Ling-Zheng Bu, Qi Shao, Xiao-Qing Huang

Journal of Electrochemistry

Hydrogen is a kind of renewable energies with the merits of environmentally friendly, abundance and high weight energy density, which can replace the fossil energy. The electrolysis of water is regarded as the most effective way to generate hydrogen. Owing to the sluggish kinetics and large overpotential of the anode oxygen evolution reaction (OER), the efficiency of the cathode hydrogen evolution reaction is greatly limited. Therefore, it is highly desirable to explore efficient, stable and low cost electrocatalysts to reduce the overpotential of OER and improve the efficiency of hydrogen evolution. Based on the natural characteristics of non-noble metal catalysts …

Synthesis Of Keggin Polyoxometalates Modified Carbon Paste Electrode As A Sensor For Dopamine Detection, Peng-Fei Dong, Na Li, Hai-Yan Zhao, Min Cui, Cong Zhang, Ju-Jie Ren, Xue-Ping Ji

Journal of Electrochemistry

Polyoxometalates, a class of anionic clusters with structure diversity and size variability, make them very attractive in many fields such as electrochemistry, catalysis and medicine. The Co(C₁₅N₆H₁₂)₂[PW₁₂O₃₈]·5H₂O(Co[PW₁₂O₃₈]) modified carbon paste electrode was prepared in this work, and its electrochemical performances as the sensor for dopamine detection were characterized with electrochemical impedance spectroscopy, cyclic voltammetry and differential pulse voltammetry. The preparation conditions and test conditions were optimized respectively. Under the optimized conditions, the POMs modified carbon paste electrode exhibited good selectivity and sensitivity …

Design Strategies Toward Highly Active Electrocatalysts For Oxygen Evolution Reaction, Tang Tang, Wen-Jie Jiang, Shuai Niu, Jin-Song Hu

Journal of Electrochemistry

Electrocatalytic water splitting is pivotal for efficient and economical production of hydrogen and oxygen gasses. However, the efficiency of the whole device is largely limited by the oxygen evolution reaction (OER) at the anode due to its sluggish kinetics. Thus, it is imperative to develop inexpensive, highly active OER catalysts to lower the reaction barriers. By examining the underlying critical factors for OER performance, this review outlines general principles for designing efficient nanosized OER catalysts, including (1) enhancing the intrinsic activity of active site by electronic modulation, crystallinity modulation, phase control, defect engineering and spin state engineering; (2) designing appropriate …

The Effects Of Antigen Size, Binding Site Valency, And Flexibility On Fab-Antigen Binding Near Solid Surfaces, Thomas A. Knotts, Derek B. Bush

Faculty Publications

Next generation antibody microarray devices have the potential to outperform current molecular detection methods and realize new applications in medicine, scientific research, and national defense. However, antibody microarrays, or arrays of antibody fragments (“fabs”), continue to evade mainstream use in part due to persistent reliability problems despite improvements to substrate design and protein immobilization strategies. Other factors could be disrupting microarray performance, including effects resulting from antigen characteristics. Target molecules embody a wide range of sizes, shapes, number of epitopes, epitope accessibility, and other physical and chemical properties. As a result, it may not be ideal for microarray designs to …

In-Situ Electrochemical Analysis Of Microbial Activity, Ariane L. Martin, Pongsarun Satjaritanun, Sirivatch Shimpalee, Blake A. Devivo, John Weidner, Scott Greenway, J. Michael Henson, Charles E. Turick

Faculty Publications

Microbes have a wide range of metabolic capabilities available that makes them industrially useful organisms. Monitoring these metabolic processes is a crucial component in efcient industrial application. Unfortunately, monitoring these metabolic processes can often be invasive and time consuming and expensive, especially within an anaerobic environment. Electrochemical techniques, such as cyclic voltammetry (CV) and electrochemical impedance spectroscopy (EIS) ofer a non-invasive approach to monitor microbial activity and growth. EIS and CV were used to monitor Clostridium phytofermentans, an anaerobic and endospore-forming bacterium. C. phytofermentans ferments a wide range of sugars into hydrogen, acetate, and ethanol as fermentation by-products. For this …

Effect Of Heating On Heat Capacity Of Vegetable Oils Used For Biofuel Production, Sailee Nitin Nagpurkar

USF Tampa Graduate Theses and Dissertations

Biodiesel has become a major renewable fuel for diesel engines particularly from various waste sources. New biodiesel production technologies are emerging with data demands for efficient process design. This project highlights the data requirements, gaps in the thermo-physical property data, and consolidation of experimental and estimation methods for effective process development. Knowing the thermodynamic properties of a substance is important in order to know what process or procedures it has to go under. The aim of this project is to assess the potential of vegetable oils to serve as feedstock for biofuel production by determining their heat capacity (Cp). Such …

First-Principles Study On The Catalytic Role Of Cerium Dioxide In The Conversion Of Organic Compounds, Chuanlin Zhao

LSU Doctoral Dissertations

Ceria is an earth-abundant material that has been widely used in heterogeneous catalysis, environmental catalysis, and energy applications thanks for its ability to readily convert between different oxidation states. The objective of this study is to theoretically elucidate the reaction mechanisms for the conversion of model organic compounds on ceria, in order to gain insights for the design of cost-effective and selective ceria-based catalysts. Acetaldehyde, acetic acid, and para-nitrophenyl phosphate monoester were selected as the model compounds to probe ceria surfaces. Density functional theory calculations can provide accurate predictions of adsorption and reaction energetics, which can be used to …

Photocatalytic Activity: Experimental Features To Report In Heterogeneous Photocatalysis, Md. Ariful Hoque, Marcelo I. Guzman

Chemistry Faculty Publications

Heterogeneous photocatalysis is a prominent area of research with major applications in solar energy conversion, air pollution mitigation, and removal of contaminants from water. A large number of scientific papers related to the photocatalysis field and its environmental applications are published in different journals specializing in materials and nanomaterials. However, many problems exist in the conception of papers by authors unfamiliar with standard characterization methods of photocatalysts as well as with the procedures needed to determine photocatalytic activities based on the determination of “apparent quantum efficiencies” within a wavelength interval or “apparent quantum yields” in the case of using monochromatic …

Performance Comparison Of Low Temperature And Chemical Absorption Carbon Capture Processes In Response To Dynamic Electricity Demand And Price Profiles, Seyed Mostafa Safdarnejad, John Hedengren, Kody M. Powell

Faculty Publications

Current projections to the year 2050 reveal that fossil fuels will remain the main source of energy generation. To achieve the target limits of carbon dioxide emission, set by national and international policies, carbon capture will play a key role. Modeling and optimization of various carbon capture technologies such as pre-combustion, oxy-fuel, and post-combustion, when integrated with coal-fired power plants, have been researched extensively in literature. Research on the integration of power generation with capture technologies regarding comparisons between the different schemes in response to dynamic inputs is lacking. This work provides a comparison between a low temperature carbon capture …

Thin-Film Block Copolymers (Bcps) Self-Assembly As Versatile Patterning Scheme For Functional Nanomaterials, Le Zhang

LSU Master's Theses

Nanopattern generation is required for building various structural entities in every production process that involves nanostructures. Advancing nanopatterning technologies play an important role in developing and broadening the current nanopatterning technologies to meet up with the ever-demanding requirements in the realm of smaller feature sizes, smoother line-edge roughness (LER) and facile pattern transfer in pursuit of faster computer processors, better electrocatalysts and more compact and intelligent sensors, etc. Conventionally, patterning needs are heavily relied on photolithography, a technique that dominate chip-making industry for more than 50 years. However conventional photolithography is bounded by inherent resolution limits and difficult to be …

Highly Thiolated Poly (Beta-Amino Ester) Nanoparticles For Acute Redox Applications, Andrew L. Lakes, David A. Puleo, J. Zach Hilt, Thomas D. Dziubla

Chemical and Materials Engineering Faculty Publications

Disulfides are used extensively in reversible cross-linking because of the ease of reduction into click-reactive thiols. However, the free-radical scavenging properties upon reduction are often under-considered. The free thiols produced upon reduction of this disulfide material mimic the cellular reducing chemistry (glutathione) that serves as a buffer against acute oxidative stress. A nanoparticle formulation producing biologically relevant concentrations of thiols may not only provide ample chemical conjugation sites, but potentially be useful against severe acute oxidative stress exposure, such as in targeted radioprotection. In this work, we describe the synthesis and characterization of highly thiolated poly (β-amino ester) (PBAE) nanoparticles …

Au@H-Al2o3 Analogic Yolk–Shell Nanocatalyst For Highly Selective Synthesis Of Biomass-Derived D-Xylonic Acid Via Regulation Of Structure Effects, Jiliang Ma, Zewei Liu, Junlong Song, Linxin Zhong, Dequan Xiao, Hongxia Xi, Xuehui Li, Runcang Sun, Xinwen Peng

Chemistry and Chemical Engineering Faculty Publications

Selective oxidation of biomass-based monosaccharides into value-added sugar acids is highly desired, but limited success of producing D-xylonic acid has been achieved. Herein, we report an efficient catalyst system, viz., Au nanoparticles anchored on the inner walls of hollow Al₂O₃ nanospheres (Au@h- Al₂O₃), which could catalyze the selective oxidation of D-xylose into D-xylonic acid under base-free conditions. The mesoporous Al₂O₃ shell as the adsorbent first adsorbed D-xylose. Then, the interface of Au nanoparticles and Al₂O₃ as active sites spontaneously dissociated O₂, and …

Well-Failure Analysis Of The Devil’S Basin In Musselshell County, Mt., Alexander Koerner

Graduate Theses & Non-Theses

Central Montana’s Devil’s Basin is the home of the first wildcat well in Montana. However, numerous operators have failed to recover economic oil reserves in the nearly 100- year history of the play. Analysis of the geologic conditions within the Devil’s Basin leads to a modern understanding of the charge, reservoir, and trap potentials of the greater Devil’s Basin petroleum play. Primary focus within the play is the Heath and Tyler Formations. Evaluation of previous exploration guides the end narrative of recommendations to direct future production in the Devil’s Basin.

A representative geologic model describing the southeastern portion of the …

The Aromatization Of Propene Via Nano-Size Hzsm-5, Wayne Seames, Swapnil Fegade, Inna Sakodynskaya, Darrin Muggli, Brian Tande, Alena Kubatova, Evguenii Kozliak

Chemistry Faculty Publications

Zeolite (ZSM) catalysts are known to convert small-size alkenes, e.g., propene, into aromatic hydrocarbons, specifically benzene, toluene and xylenes (BTX), with both high efficiency and specificity. The efficiency of conventional and hierarchical nano-size ZSM-5 for propene aromatization was compared in this study using a Design of Experiments (DOE) approach combined with detailed product analysis. Contrary to our expectations, the former showed a significantly greater BTX yield than the latter. Analysis of the obtained data by DOE and additional experiments with soybean oil cracking using both catalyst types indicated that a reason for the observed reduced activity of nano-scale zeolites may …

Molecular Dynamics Studies On Nanoscale Confined Liquids, Alper Celebi

Mechanical Engineering Research Theses and Dissertations

Liquid transport in nanochannels have been attracting great interests, especially for last two decades, owing to its potential applicability in various fields including biochemistry, medical science and engineering. For exploring and generating new ideas in the field of nanofluidics, molecular simulation techniques have become an ideal way due to the experimental challenges impeding the field of nanofluidics in fabrication and measurements.

In this dissertation, we perform molecular dynamics simulations to investigate liquid transport behavior in nanoscale channels. The expanse of this dissertation concerns several fundamental topics in nanoscale liquid transport phenomena such as liquid properties in nanoscale confinements, interfacial flows …

Development Of A Simple Lab-Scale Vacuum Assisted Resin Transfer Molding (Vartm) Process, Donald A. Klosterman

Chemical and Materials Engineering Faculty Publications

The goal of the current study was to develop and demonstrate a simple and quick lab-scale VARTM process for the purpose of making flat panels for subsequent characterization, for example in new materials development efforts. This process was not intended to be optimized for final production, rather it served as the quickest way to make lab-scale composite panels using VARTM while maintaining all the salient features of typical VARTM processes used in larger scale manufacturing. There is a wide variety of ways to implement VARTM, as well as a diverse list of potential materials and supplies from which to choose. …

Local Deformation And Texture Of Cold-Rolled Aa6061 Aluminum Alloy, Diaoyu Zhou, Wenwen Du, Xiyu Wen, Junwei Qiao, Wei Liang, Fuqian Yang

Chemical and Materials Engineering Faculty Publications

Using cold rolling, we plastically deform AA6061 sheets at room temperature and investigate the variations of the microstructures, textures and local deformation of the cold-rolled AA6061 sheets as functions of thickness reduction (Δt/t₀, t₀ and t are the thicknesses of the AA6061 sheet before and after the cold rolling, respectively). The volume fraction of total deformation texture is relatively independent of the thickness reduction for Δt/t₀ ≤ 30%, and becomes an approximately linearly increasing function of the thickness reduction for Δt/t₀ > 30%. Increasing the thickness reduction causes the increase of the Vickers hardness of the …

Interface Model Of Pem Fuel Cell Membrane Steady-Dtate Behavior, Russell L. Edwards, Ayodeji Demuren

Mechanical & Aerospace Engineering Faculty Publications

Modeling works which simulate the proton-exchange membrane fuel cell with the computational fluid dynamics approach involve the simultaneous solution of multiple, interconnected physics equations for fluid flows, heat transport, electrochemical reactions, and both protonic and electronic conduction. Modeling efforts vary by how they treat the physics within and adjacent to the membrane-electrode assembly (MEA). Certain approaches treat the MEA not as part of the computational domain, but rather an interface connecting the anode and cathode computational domains. These approaches may lack the ability to consistently model catalyst layer losses and MEA ohmic resistance. This work presents an upgraded interface formulation …

Characterization And Evaluation Of Cordless Nailer Performance For Liquid And Gaseous Fuels, Mark Carioscio

Master's Theses (2009 -)

The Paslode Cordless XP Framing Nailer is a combustion-powered nail gun that operates using a fuel blend of a propylene and 1-butene. This tool is designed to drive nails using a piston driven by a combustion reaction. The current fuel blend is able to fire approximately 1200 shots per fuel cartridge and match the energy output of pneumatic, corded nailers on the market. This thesis is written with the intent to gain a better understanding of the operation of the tool and how its performance varies when the fuel source is altered. A bizonal combustion model was created to simulate …

Thermochemical Conversion Of Biomass: Detailed Gasification And Near-Burner Co-Firing Measurements, Jacob B. Beutler

Theses and Dissertations

An increasing emphasis on mitigating global climate change (global warming) over the last few decades has created interest in a broad range of sustainable or alternative energy systems to replace fossil fuel combustion. Biomass, when harvested responsibly, is a renewable fuel with many uses in replacing fossil fuels. Cofiring biomass with coal in traditional large-scale coal power plants represents one of the lowest risk, least costly, near-term methods of CO₂ mitigation. Simultaneously, it is one of the most efficient and inexpensive uses of biomass. Alternatively, biomass can be transformed into useful products through gasification to produce clean syngas for …

Three-Way Catalysts In Passive Selective Catalytic Reduction Systems, Calvin Thomas

Theses and Dissertations

Conventional gasoline-powered engines operate with a stoichiometric air-fuel ratio (AFR), but greater fuel economy is achieved in lean burn engines by increasing the AFR. The primary drawback to these engines is the nitrogen oxide (NOX) emissions, which cannot be reduced over a conventional three-way catalyst (TWC). Passive selective catalytic reduction (SCR) is a promising approach for the control of NOX emissions in lean burn systems. By periodically decreasing the AFR to fuel-rich levels, ammonia (NH3) can be produced over a TWC and stored on a downstream SCR catalyst for the reduction of NOX during normal lean operation. While passive SCR …

Ultra-Thin Coating And Three-Dimensional Electrode Structures To Boosted Thick Electrode Lithium-Ion Battery Performance, Jie Li, Yan Gao, Xinhua Liang, Jonghyun Park

Chemical and Biochemical Engineering Faculty Research & Creative Works

This paper reports a multiscale controlled three‐dimensional (3D) electrode structure to boost the battery performance for thick electrode batteries with LiMn_1.5Ni_0.5O₄ as cathode material, which exhibits a high areal capacity (3.5 mAh/cm²) along with a high specific capacity (130 mAh/g). This excellent battery performance is achieved by a new concept of cell electrode fabrication, which simultaneously controls the electrode structure in a multiscale manner to address the key challenges of the material. Particles with ultrathin conformal coating layers are prepared through atomic layer deposition followed by a nanoscale‐controlled, thermal diffusion doping. The particles …

Electrochemical Hydrogenation Of Acetone To Produce Isopropanol Using A Polymer Electrolyte Membrane Reactor, Chen Li, Ashanti M. Sallee, Xiaoyu Zhang, Sandeep Kumar

Civil & Environmental Engineering Faculty Publications

Electrochemical hydrogenation (ECH) of acetone is a relatively new method to produce isopropanol. It provides an alternative way of upgrading bio-fuels with less energy consumption and chemical waste as compared to conventional methods. In this paper, Polymer Electrolyte Membrane Fuel Cell (PEMFC) hardware was used as an electrochemical reactor to hydrogenate acetone to produce isopropanol and diisopropyl ether as a byproduct. High current efficiency (59.7%) and selectivity (>90%) were achieved, while ECH was carried out in mild conditions (65 degrees C and atmospheric pressure). Various operating parameters were evaluated to determine their effects on the yield of acetone and …

Nanoflower-Like Bi2moo6/Ag3po4 In Water Treatment, Xavier Morgan-Lange, Jaeyun Moon, Kaleab Ayalew

McNair Poster Presentations

• Environmental issues continue to intensify causing natural resources such as clean water to become increasingly scarce while demand only continues to grow. • Some of the most effective measures taken appear to be bioremediation tactics and their synthetic counterparts. • A critical area of interest are semi-conducting photocatalytic nanomaterials that take advantage of the photo-electric effect and use the introduction of ultra violet (UV) and visible light to induce oxidation and reduction reaction in p-type semiconductors. This results in the decomposition of certain pollutants and/or deactivates certain microbes in water. • These materials have the potential to operate using …

The Flow Reactor Technology As A Modern Synthetic Tool For Preparation Of Pd/Fe3o4 Nanoparticles As A High Efficient Magnetic Catalyst For Co Oxidation, Hany A. Elazab

Chemical Engineering

No abstract provided.