Engineering Commons^™

Determination Of Chemical Speciation Of Arsenic And Selenium In High-As Coal Combustion Ash By X-Ray Photoelectron Spectroscopy: Examples From A Kentucky Stoker Ash, Biao Fu, James C. Hower, Shifeng Dai, Sarah M. Mardon, Guijian Liu

Center for Applied Energy Research Faculty and Staff Publications

Knowledge of the chemical speciation of arsenic and selenium in coal fly ash is essential in the evaluation of the environmental behavior of fly ash disposed in a landfill in a natural environment. In this study, a series of high-As coal fly ash from stoker boilers were collected to determine the chemical forms of arsenic and selenium. The ash surface chemical characteristics and the speciation of arsenic and selenium were characterized by X-ray photoelectron spectroscopy and X-ray-induced Auger electron spectroscopy. The results indicate that the surface enrichment ratio for selenium (63.3–309.5) is higher than that of arsenic (1.2–21.2). The Wagner …

Lightweight Thermal Management Material For Enhancement Of Through-Thickness Thermal Conductivity, Matthew Collins Weisenberger

Center for Applied Energy Research Faculty Patents

A flexible sheet of aligned carbon nanotubes includes an array of aligned nanotubes held in a polymer matrix material. The carbon nanotubes have an average length of between about 50 microns and about 500 microns. The polymer matrix has an average thickness of between about 10 microns and about 500 microns. The flexible sheet has a density of about 0.2 to about 1.0 glee and includes between about 98 to about 60 weight percent aligned carbon nanotubes and between about 2 and about 40 weight percent polymer. A tape of aligned carbon nanotubes, a method for producing a tape of …

A Simple And Robust Approach To Reducing Contact Resistance In Organic Transistors, Zachary A. Lamport, Katrina J. Barth, Hyunsu Lee, Eliot Gann, Sebastian Engmann, Hu Chen, Martin Guthold, Iain Mcculloch, John E. Anthony, Lee J. Richter, Dean M. Delongchamp, Oana D. Jurchescu

Chemistry Faculty Publications

Efficient injection of charge carriers from the contacts into the semiconductor layer is crucial for achieving high-performance organic devices. The potential drop necessary to accomplish this process yields a resistance associated with the contacts, namely the contact resistance. A large contact resistance can limit the operation of devices and even lead to inaccuracies in the extraction of the device parameters. Here, we demonstrate a simple and efficient strategy for reducing the contact resistance in organic thin-film transistors by more than an order of magnitude by creating high work function domains at the surface of the injecting electrodes to promote channels …

Concentrically Loaded Circular Rc Columns Partially Confined With Frp, Sahar Y. Ghanem, Issam E. Harik

Civil Engineering Faculty Publications

Wrapping reinforced concrete (RC) columns with fiber reinforced polymer (FRP) composites is effective in increasing their capacity. The current state of the art concentrates primarily on fully wrapped columns and few studies dealt with partially wrapped ones. The objective herein is to evaluate the effectiveness of partial wraps (or strips) and to develop a confined concrete compressive stress–strain (f_c − ε_c) model that accounts for partial wrapping. Three-dimensional finite element (FE) models are generated to evaluate the influence of different parameters on the behavior of concentrically loaded RC circular columns that are partially and fully wrapped …

Determining The Degree Of [001] Preferred Growth Of Ni(Oh)2 Nanoplates, Taotao Li, Ning Dang, Wanggang Zhang, Wei Liang, Fuqian Yang

Chemical and Materials Engineering Faculty Publications

Determining the degree of preferred growth of low-dimensional materials is of practical importance for the improvement of the synthesis methods and applications of low-dimensional materials. In this work, three different methods are used to analyze the degree of preferred growth of the Ni(OH)₂ nanoplates synthesized without the use of a complex anion. The results suggest that the preferred growth degree of the Ni(OH)₂ nanoplates calculated by the March parameter and the expression given by Zolotoyabko, which are based on the analysis and texture refinement of the X-ray diffraction pattern, are in good accordance with the results measured by …

Cellulose-Specific Type B Carbohydrate Binding Modules: Understanding Oligomeric And Non-Crystalline Substrate Recognition Mechanisms, Abhishek A. Kognole, Christina M. Payne

Chemical and Materials Engineering Faculty Publications

Background: Effective enzymatic degradation of crystalline polysaccharides requires a synergistic cocktail of hydrolytic enzymes tailored to the wide-ranging degree of substrate crystallinity. To accomplish this type of targeted carbohydrate recognition, nature produces multi-modular enzymes, having at least one catalytic domain appended to one or more carbohydrate binding modules (CBMs). The Type B CBM categorization encompasses several families (i.e., protein folds) of CBMs that are generally thought to selectively bind oligomeric polysaccharides; however, a subset of cellulose-specific CBM families (17 and 28) appear to bind non-crystalline cellulose more tightly than oligomers and in a manner that discriminates between surface topology.

Results: …

Water Processable N-Type Organic Semiconductor, Ruben S. Riquelme, Matthew Collins Weisenberger, Camila F. Gomez

Center for Applied Energy Research Faculty Patents

The present invention concerns a water-processable n-type semiconductor comprised of polyvinylpyrrolidone (PVP), carbon nanotubes (CNTs) and poly(ethyleneimine) (PEI). The semiconductors are prepared by providing PVP and CNTs in a hydrophilic slurry and dispersing therein small amounts of PEI.

Linking Lignin Source With Structural And Electrochemical Properties Of Lignin-Derived Carbon Materials, Wenqi Li, Yan Zhang, Lalitendu Das, Yikai Wang, Mi Li, Namal Wanninayake, Yunqiao Pu, Doo Young Kim, Yang-Tse Cheng, Arthur J. Ragauskas, Jian Shi

Biosystems and Agricultural Engineering Faculty Publications

Valorization of lignin to high-value chemicals and products along with biofuel production is generally acknowledged as a technology platform that could significantly improve the economic viability of biorefinery operations. With a growing demand for electrical energy storage materials, lignin-derived activated carbon (AC) materials have received increasing attention in recent years. However, there is an apparent gap in our understanding of the impact of the lignin precursors (i.e., lignin structure, composition and inter-unit linkages) on the structural and electrochemical properties of the derived ACs. In the present study, lignin-derived ACs were prepared under identical conditions from two different lignin …

Advances In Automotive Conversion Coatings During Pretreatment Of The Body Structure: A Review, Mark Doerre, Larry Hibbitts, Gabriela Patrick, Nelson K. Akafuah

Institute of Research for Technology Development Faculty Publications

Automotive conversion coatings consist of layers of materials that are chemically applied to the body structures of vehicles before painting to improve corrosion protection and paint adhesion. These coatings are a consequence of surface-based chemical reactions and are sandwiched between paint layers and the base metal; the chemical reactions involved distinctly classify conversion coatings from other coating technologies. Although the tri-cationic conversion coating bath chemistry that was developed around the end of the 20th century remains persistent, environmental, health, and cost issues favor a new generation of greener methods and materials such as zirconium. Environmental forces driving lightweight material selection …

Magnetic Ordering In A Vanadium-Organic Coordination Polymer Using A Pyrrolo[2,3-D:5,4-D']Bis(Thiazole)-Based Ligand, Yulia A. Getmanenko, Christopher S. Mullins, Vladimir N. Nesterov, Stephanie Lake, Chad Risko, Ezekiel Johnston-Halperin

Chemistry Faculty Publications

Here we present the synthesis and characterization of a hybrid vanadium-organic coordination polymer with robust magnetic order, a Curie temperature T_C of ∼110 K, a coercive field of ∼5 Oe at 5 K, and a maximum mass magnetization of about half that of the benchmark ferrimagnetic vanadium(tetracyanoethylene)_~2 (V·(TCNE)_~2). This material was prepared using a new tetracyano-substituted quinoidal organic small molecule 7 based on a tricyclic heterocycle 4-hexyl-4H-pyrrolo[2,3-d:5,4-d′]bis(thiazole) (C₆-PBTz). Single crystal X-ray diffraction of the 2,6-diiodo derivative of the parent C₆-PBTz, showed a disordered hexyl chain and …

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 …

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 …

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 …

Ultrafine Mineral Associations In Superhigh-Organic-Sulfur Kentucky Coals, James C. Hower, Debora Berti, Michael F. Hochella Jr.

Center for Applied Energy Research Faculty and Staff Publications

Two high-organic-sulfur Kentucky coals, the eastern Kentucky River Gem coal and the western Kentucky Davis coal, are examined by scanning electron microscopy (SEM) and transmission electron microscopy (TEM), both including elemental analysis by energy-dispersive spectroscopy (EDS). From the SEM–EDS analysis, it is observed that the western Kentucky coal had areas with Pb and Cd in addition to the expected Fe and S and the eastern Kentucky coal had individual Fe–S-rich areas with La and Ni and with Si, Al, Cr, Ni, and Ti. TEM and selected area electron diffraction (SAED) analyses demonstrate that anglesite with a rim of Pb-bearing amorphous …

Self-Cleaning Nanocomposite Membranes With Phosphorene-Based Pore Fillers For Water Treatment, Joyner Eke, Katherine Elder, Isabel Escobar

Chemical and Materials Engineering Faculty Publications

Phosphorene is a two-dimensional material exfoliated from bulk phosphorus and it possesses a band gap. Specifically, relevant to the field of membrane science, the band gap of phosphorene provides it with potential photocatalytic properties, which could be explored in making reactive membranes that can self-clean. The goal of this study was to develop an innovative and robust membrane that is able to control and reverse fouling with minimal changes in membrane performance. To this end, for the first time, membranes have been embedded with phosphorene. Membrane modification was verified by the presence of phosphorus on membranes, along with changes in …

Gold-Catalyzed Conversion Of Lignin To Low Molecular Weight Aromatics, Yang Song, Justin K. Mobley, Ali Hussain Motagamwala, Mark Isaacs, James E. Dumesic, John Ralph, Adam F. Lee, Karen Wilson, Mark Crocker

Chemistry Faculty Publications

A heterogeneous catalyst system, employing Au nanoparticles (NPs) and Li–Al (1 : 2) layered double hydroxide (LDH) as support, showed excellent activity in aerobic oxidation of the benzylic alcohol group in β-O-4 linked lignin model dimers to the corresponding carbonyl products using molecular oxygen under atmospheric pressure. The synergistic effect between Au NPs and the basic Li–Al LDH support induces further reaction of the oxidized model compounds, facilitating facile cleavage of the β-O-4 linkage. Extension to oxidation of γ-valerolactone (GVL) extracted lignin and kraft lignin using Au/Li–Al LDH under similar conditions produced a range of aromatic monomers in high yield. …

Aging Response And Precipitation Behavior After 5% Pre-Deformation Of An Al-Mg-Si-Cu Alloy, Shuoxun Jin, Tungwai Ngai, Liejun Li, Shian Jia, Tongguang Zhai, Dongjie Ke

Chemical and Materials Engineering Faculty Publications

In this study, Al-1.00 Mg-0.65 Si-0.24 Cu alloy was solution heat-treated, water-quenched, and then pre-deformed for 5% before aging. The peak hardness and yield strength of the pre-deformed sample with subsequent artificial aging were similar to that of a T6 condition sample. It was also found that the pre-deformation treatment could inhibit the negative influence of natural aging to some degree. After seven days of natural aging, the pre-deformed sample obtained better peak hardness and yield strength upon artificial aging than the sample without pre-deformation. In addition, the pre-deformation treatment could reduce 50% of the artificial aging time to reach …

Schlieren Visualization Of Shaping Air During Operation Of An Electrostatic Rotary Bell Sprayer: Impact Of Shaping Air On Droplet Atomization And Transport, Adnan Darwish Ahmad, Ahmad M. Abubaker, Ahmad A. Salaimeh, Nelson K. Akafuah

Institute of Research for Technology Development Faculty Publications

Electrostatic rotary bell sprayers (ERBSs) are widely used in the automotive industry. In ERBS, atomization is facilitated using centrifugal forces which disintegrate the paint film inside the cup into droplets at the cup edge. The droplets are then transported by the flow of a shaping air (SA) and electrostatic forces to a target surface; the characteristics of these droplets dramatically influence the quality of a painted surface and the painting transfer efficiency. In the current paper, a novel Schlieren-based visualization of the shaping air in the absence of paint droplets was performed during a qualitative investigation to delineate shaping air …

Investigation Of The Use Of A Bio-Derived Solvent For Non-Solvent-Induced Phase Separation (Nips) Fabrication Of Polysulfone Membranes, Xiaobo Dong, Amna Al-Jumaily, Isabel Escobar

Chemical and Materials Engineering Faculty Publications

Organic solvents, such as N-methyl-2-pyrrolidone (NMP) and dimethylacetamide (DMAc), have been traditionally used to fabricate polymeric membranes. These solvents may have a negative impact on the environment and human health; therefore, using renewable solvents derived from biomass is of great interest to make membrane fabrication sustainable. Methyl-5-(dimethylamino)-2-methyl-5-oxopentanoate (Rhodiasolv PolarClean) is a bio-derived, biodegradable, nonflammable and nonvolatile solvent. Polysulfone is a commonly used polymer to fabricate membranes due to its thermal stability, strong mechanical strength and good chemical resistance. From cloud point curves, PolarClean showed potential to be a solvent for polysulfone. Membranes prepared with PolarClean were investigated in terms of …

Research And Development Of Powder Brazing Filler Metals For Diamond Tools: A Review, Fei Long, Peng He, Dusan P. Sekulic

Mechanical Engineering Faculty Publications

Powder brazing filler metals (PBFMs) feature a number of comparative advantages. Among others, these include a low energy consumption, an accurate dosage, a good brazeability, a short production time, and a high production efficiency. These filler metals have been used in the aerospace, automobile, and electric appliances industries. The PBFMs are especially suitable for diamond tools bonding, which involves complex workpiece shapes and requires accurate dosage. The recent research of PBFMs for diamond tools is reviewed in this paper. The current applications are discussed. The CuSnTi and Ni-Cr-based PBFMs have been the two commonly used monolayer PBFMs. Thus, the bonding …

Analysis Of Surface Integrity In Machining Of Aisi 304 Stainless Steel Under Various Cooling And Cutting Conditions, F. Klocke, B. Döbbeler, S. Lung, S. Seelbach, Ibrahim S. Jawahir

Institute for Sustainable Manufacturing Faculty Publications

Recent studies have shown that machining under specific cooling and cutting conditions can be used to induce a nanocrystalline surface layer in the workspiece. This layer has beneficial properties, such as improved fatigue strength, wear resistance and tribological behavior. In machining, a promising approach for achieving grain refinement in the surface layer is the application of cryogenic cooling. The aim is to use the last step of the machining operation to induce the desired surface quality to save time-consuming and expensive post machining surface treatments. The material used in this study was AISI 304 stainless steel. This austenitic steel suffers …

Multienzyme Immobilized Polymeric Membrane Reactor For The Transformation Of A Lignin Model Compound, Rupam Sarma, Md. Saiful Islam, Mark P. Running, Dibakar Bhattacharyya

Chemical and Materials Engineering Faculty Publications

We have developed an integrated, multienzyme functionalized membrane reactor for bioconversion of a lignin model compound involving enzymatic catalysis. The membrane bioreactors were fabricated through the layer-by-layer assembly approach to immobilize three different enzymes (glucose oxidase, peroxidase and laccase) into pH-responsive membranes. This novel membrane reactor couples the in situ generation of hydrogen peroxide (by glucose oxidase) to oxidative conversion of a lignin model compound, guaiacylglycerol-β-guaiacyl ether (GGE). Preliminary investigation of the efficacy of these functional membranes towards GGE degradation is demonstrated under convective flow mode. Over 90% of the initial feed could be degraded with the multienzyme immobilized membranes …

Scalable Patterning Using Laser-Induced Shock Waves, Saidjafarzoda Ilhom, Khomidkhodza Kholikov, Peizhen Li, Claire Ottman, Dylan Sanford, Zachary Thomas, Omer San, Haluk E. Karaca, Ali O. Er

Mechanical Engineering Faculty Publications

An advanced direct imprinting method with low cost, quick, and minimal environmental impact to create a thermally controllable surface pattern using the laser pulses is reported. Patterned microindents were generated on Ni₅₀Ti₅₀ shape memory alloys and aluminum using an Nd: YAG laser operating at 1064 nm combined with a suitable transparent overlay, a sacrificial layer of graphite, and copper grid. Laser pulses at different energy densities, which generate pressure pulses up to a few GPa on the surface, were focused through the confinement medium, ablating the copper grid to create plasma and transferring the grid pattern onto …

Modeling Of Nitihf Using Finite Difference Method, Nazanin Farjam, Reza Mehrabi, Haluk E. Karaca, Reza Mirzaeifar, Mohammad Elahinia

Mechanical Engineering Faculty Publications

NiTiHf is a high temperature and high strength shape memory alloy with transformation temperatures above 100oC. A constitutive model based on Gibbs free energy is developed to predict the behavior of this material. Two different irrecoverable strains including transformation induced plastic strain (TRIP) and viscoplastic strain (VP) are considered when using high temperature shape memory alloys (HTSMAs). The first one happens during transformation at high levels of stress and the second one is related to the creep which is rate-dependent. The developed model is implemented for NiTiHf under uniaxial loading. Finite difference method is utilized to solve the proposed equations. …

Selective Laser Melting Of Ni-Rich Niti: Selection Of Process Parameters And The Superelastic Response, Narges Shayesteh Moghaddam, Soheil Saedi, Amirhesam Amerinatanzi, Ehsan Saghaian, Ahmadreza Jahadakbar, Haluk E. Karaca, Mohammad Elahinia

Mechanical Engineering Faculty Publications

Material and mechanical properties of NiTi shape memory alloys strongly depend on the fabrication process parameters and the resulting microstructure. In selective laser melting, the combination of parameters such as laser power, scanning speed, and hatch spacing determine the microstructural defects, grain size and texture. Therefore, processing parameters can be adjusted to tailor the microstructure and mechanical response of the alloy. In this work, NiTi samples were fabricated using Ni_50.8Ti (at.%) powder via SLM PXM by Phenix/3D Systems and the effects of processing parameters were systematically studied. The relationship between the processing parameters and superelastic properties were investigated …

Influence Of Slm On Compressive Response Of Niti Scaffolds, Narges Shayesteh Moghaddam, Soheil Saedi, Amirhesam Amerinatanzi, Ahmadreza Jahadakbar, Sayed Ehsan Saghaian, Haluk E. Karaca, Mohammad Elahinia

Mechanical Engineering Faculty Publications

Porous Nickel-Titanium shape memory alloys (NiTi-SMAs) have attracted much attention in biomedical applications due to their high range of pure elastic deformability (i.e., superelasticity) as well as their bone-level modulus of elasticity (E≈12-20 GPa). In recent years, Selective Laser Melting (SLM) has been used to produce complex NiTi components. The focus of this study is to investigate the superelasticity and compressive properties of SLM NiTi-SMAs. To this aim, several NiTi components with different level of porosities (32- 58%) were fabricated from Ni_50.8Ti (at. %) powder via SLM PXM by Phenix/3D Systems, using optimum processing parameter (Laser power-P=250 W, …

Application Of Cross-Linked Polyborosiloxanes And Organically Modified Boron Silicate Binders In Silicon-Containing Anodes For Lithium-Ion Batteries, Darius A. Shariaty, Dali Qian, Yang-Tse Cheng, Susan A. Odom

Chemistry Faculty Publications

To determine the effect of cross-linking in polymer binders on gravimetric capacity and retention in charge/discharge cycling of lithium-ion batteries containing silicon anodes, polymers with a varied chemiophysical characters have been studied as electrode binders. Here we report the utilization of cross-linked polyborosiloxanes and a boron-modified organosilicate as binders for nanoparticulate silicon-containing anodes for lithium-ion batteries. We show that highly cross-linked binders enable a large degree of capacity to be accessed and that capacity retention is greater when the electrodes are cycled in half cells. More extensive analysis of the boron-modified organosilicate is further explored.

Orthogonal Photo-Switching Of Supramolecular Patterned Surfaces, Dongsheng Wang, Frank Schellenberger, Jonathan T. Pham, Hans-Jürgen Butt, Si Wu

Chemical and Materials Engineering Faculty Publications

We used Azo/α-CD and ipAzo/γ-CD host–guest complexes to demonstrate that four independent stable states can be orthogonally photo-switched by UV (365 nm), blue (470 nm), green (530 nm) and red light (625 nm). A supramolecular patterned surface was fabricated and orthogonally photo-switched by light with different wavelengths.

A New Hybrid Decision Support Tool For Evaluating The Sustainability Of Mining Projects, S. Kamenopoulos, Zacharias Agioutantis, K. Komnitsas

Mining Engineering Faculty Publications

The integration of sustainable development challenges and opportunities into the decision making process during the design and/or implementation of multi-disciplinary mining projects is generally not supported by decision support systems (DSS). A new hybrid decision support tool, which features an integrated assessment of sustainable development issues as they apply to mining projects, is hereby proposed. The proposed DSS framework, named “Acropolis DSS”, can be used to assist involved stakeholders in critical decisions, especially when addressing issues such as stakeholder participation, transparency, and trade-offs. The proposed DSS is based on a multi-criteria decision analysis combined with the multi-attribute utility theory.

Effect Of Molecular Side Groups And Local Nanoenvironment On Photodegradation And Its Reversibility, Nicole Quist, Mark Li, Ryan Tollefsen, Michael Haley, John Anthony, Oksana Ostroverkhova

Chemistry Faculty Publications

Degradation of organic semiconductors in the presence of oxygen is one of the bottlenecks preventing their wide-spread use in optoelectronic devices. The first step towards such degradation in functionalized pentacene (Pn) derivatives is formation of endoperoxide (EPO), which can either revert back to the parent molecule or proceed to molecule decomposition. We present the study of reversibility of EPO formation through probing the photophysical properties of functionalized fluorinated pentacene (Pn-R-F8) derivatives. Experiments are done in solutions and in films both at the single molecule level and in the bulk. In solutions, degradation of optical absorption and its partial recovery after …