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Articles 1 - 16 of 16
Full-Text Articles in Chemical Engineering
The Effect Of Gas Pressure On No Conversion Energy Efficiency In Nonthermal Nitrogen Plasma, Morris D. Argyle, Gui-Bing Zhao, S.V.B. Janardhan Garikipati, Xudong Hu, Maciej Radosz
The Effect Of Gas Pressure On No Conversion Energy Efficiency In Nonthermal Nitrogen Plasma, Morris D. Argyle, Gui-Bing Zhao, S.V.B. Janardhan Garikipati, Xudong Hu, Maciej Radosz
Faculty Publications
This work explores the effect of gas pressure on the rate of electron collision reactions and energy consumption for NO conversion in N2 in a pulsed corona discharge reactor. A previous study showed that the rate constant of electron collision reactions, multiplied by the electron concentration, can be expressed as k[e] = βα−0.5P−0.5W0.75exp(−αP/W). The model parameter α remains constant with increasing gas pressure, which verifies the previous assumption that the electron temperature is inversely proportional to gas pressure. However, the model parameter β decreases with increasing gas pressure, which indicates that the rate constant of electron collision reactions decreases with …
Growth And Transport Properties Of Complementary Germanium Nanowire Field Effect Transistors, Andrew B. Greytak, Lincoln J. Lauhon, Mark S. Gudiksen, Charles M. Lieber
Growth And Transport Properties Of Complementary Germanium Nanowire Field Effect Transistors, Andrew B. Greytak, Lincoln J. Lauhon, Mark S. Gudiksen, Charles M. Lieber
Faculty Publications
n- and p-type Ge nanowires were synthesized by a multistep process in which axial elongation, via vapor–liquid–solid (VLS) growth, and doping were accomplished in separate chemical vapor deposition steps. Intrinsic, single-crystal, Ge nanowires prepared by Au nanocluster-mediated VLS growth were surface-doped in situ using diborane or phosphine, and then radial growth of an epitaxial Ge shell was used to cap the dopant layer. Field-effect transistors prepared from these Ge nanowires exhibited on currents and transconductances up to 850 µA/µm and 4.9 µA/V, respectively, with device yields of >85%.
Molecular-Dynamics Simulation Of The Effect Of Ions On A Liquid–Liquid Interface For A Partially Miscible Mixture, Richard L. Rowley, Kent E. Wardle, Eric Carlson, Douglas Henderson
Molecular-Dynamics Simulation Of The Effect Of Ions On A Liquid–Liquid Interface For A Partially Miscible Mixture, Richard L. Rowley, Kent E. Wardle, Eric Carlson, Douglas Henderson
Faculty Publications
Molecular-dynamics simulations were performed to model the effect of added salt ions on the liquid-liquid interface in a partially miscible system. Simulations of the interface between saturated phases of a model 1-hexanol + water system show a bilayer structure of 1-hexanol molecules at the interface with OH heads of the first layer directed into the water phase and the opposite orientation for the second layer. The alignment of the polar OH groups at the interface stabilizes a charge separation of sodium and chloride ions when salt is introduced into the aqueous phase, producing an electrical double layer. Chloride ions aggregate …
Transcriptome-Based Determination Of Multiple Transcription Regulator Activities In Escherichia Coli By Using Network Component Analysis, Katy Kao, Young-Lyeol Yang, Riccardo Boscolo, Chiara Sabatti, Vwani Roychowdhury, James Liao
Transcriptome-Based Determination Of Multiple Transcription Regulator Activities In Escherichia Coli By Using Network Component Analysis, Katy Kao, Young-Lyeol Yang, Riccardo Boscolo, Chiara Sabatti, Vwani Roychowdhury, James Liao
Faculty Publications
Cells adjust gene expression profiles in response to environmental and physiological changes through a series of signal transduction pathways. Upon activation or deactivation, the terminal regulators bind to or dissociate from DNA, respectively, and modulate transcriptional activities on particular promoters. Traditionally, individual reporter genes have been used to detect the activity of the transcription factors. This approach works well for simple, non-overlapping transcription pathways. For complex transcriptional networks, more sophisticated tools are required to deconvolute the contribution of each regulator. Here, we demonstrate the utility of network component analysis in determining multiple transcription factor activities based on transcriptome profiles and …
Development Of First Principles Capacity Fade Model For Li-Ion Cells, P. Ramadass, Bala Haran, Parthasarathy M. Gomadam, Ralph E. White, Branko N. Popov
Development Of First Principles Capacity Fade Model For Li-Ion Cells, P. Ramadass, Bala Haran, Parthasarathy M. Gomadam, Ralph E. White, Branko N. Popov
Faculty Publications
A first principles-based model has been developed to simulate the capacity fade of Li-ion batteries. Incorporation of a continuous occurrence of the solvent reduction reaction during constant current and constant voltage (CC-CV) charging explains the capacity fade of the battery. The effect of parameters such as end of charge voltage and depth of discharge, the film resistance, the exchange current density, and the over voltage of the parasitic reaction on the capacity fade and battery performance were studied qualitatively. The parameters that were updated for every cycle as a result of the side reaction were state-of-charge of the electrode materials …
Effect Of Porosity On The Capacity Fade Of A Lithium-Ion Battery: Theory, Godfrey Sikha, Branko N. Popov, Ralph E. White
Effect Of Porosity On The Capacity Fade Of A Lithium-Ion Battery: Theory, Godfrey Sikha, Branko N. Popov, Ralph E. White
Faculty Publications
A mathematical model is presented to predict the performance of a lithium-ion battery. It includes the changes in the porosity of the material due to the reversible intercalation processes and the irreversible parasitic reaction. The model was also extended to predict the capacity fade in a lithium-ion battery based on the unwanted parasitic reaction that consumes Li+ along with the changes in the porosities of the electrodes with cycling due to the continuous parasitic side reaction. The model can be used to predict the drop in the voltage profile, change in the state of charge, and the effects of …
Development Of Novel Method For Preparation Of Pemfc Electrodes, Hansung Kim, Branko N. Popov
Development Of Novel Method For Preparation Of Pemfc Electrodes, Hansung Kim, Branko N. Popov
Faculty Publications
A method based on pulse electrodeposition technique was developed for preparation of membrane electrode assemblies (MEAs). In this approach, platinum is deposited directly on the surface of the carbon electrode. The method ensures most of the platinum to be in close contact with the membrane. Using this method it is possible to increase the Pt/C ratio up to 75 wt % near the surface of the electrode resulting in a 5 µm thick catalyst layer. The MEA prepared by pulse electrodeposition exhibits a current density of 0.33 A/cm2 at 0.8 V with platinum loading of 0.25 mg of Pt/cm …
Analytical Solution For The Impedance Of A Porous Electrode, Sheba Devan, Venkat R. Subramanian, Ralph E. White
Analytical Solution For The Impedance Of A Porous Electrode, Sheba Devan, Venkat R. Subramanian, Ralph E. White
Faculty Publications
A macrohomogeneous model is presented for a porous electrode that includes coupled potential and concentration gradients with linear kinetics. The equations are solved to obtain an analytical expression for the impedance of a porous electrode. Complex plane plots are presented that illustrate two well-defined arcs: a kinetic arc and a diffusion arc with their time constants far apart. The effects of parameters such as exchange current density, porosity, diffusion coefficient, thickness, and interfacial area on the impedance spectra are presented. The usefulness of the analytical solution in investigating the effect of solution phase diffusion is also presented.
Exploration Of Artificial Multiferroic Thin-Film Heterostructures Using Composition Spreads, K.-S. Chang, M. A. Aronova, C.-L. Lin, M. Murakami, M.-H. Yu, Jason R. Hattrick-Simpers, O. O. Famodu, S. Y. Lee, R. Ramesh, M. Wuttig, I. Takeuchi, C. Gao, L. A. Bendersky
Exploration Of Artificial Multiferroic Thin-Film Heterostructures Using Composition Spreads, K.-S. Chang, M. A. Aronova, C.-L. Lin, M. Murakami, M.-H. Yu, Jason R. Hattrick-Simpers, O. O. Famodu, S. Y. Lee, R. Ramesh, M. Wuttig, I. Takeuchi, C. Gao, L. A. Bendersky
Faculty Publications
We have fabricated a series of composition spreads consisting of ferroelectric BaTiO3 and piezomagnetic CoFe2O4 layers of varying thicknesses modulated at nanometer level in order to explore artificial magnetoelectricthin-film heterostructures. Scanning microwavemicroscopy and scanning superconducting quantum interference device microscopy were used to map the dielectric and magnetic properties as a function of continuously changing average composition across the spreads, respectively. Compositions in the middle of the spreads were found to exhibit ferromagnetism while displaying a dielectric constant as high as ≈120.
Cycle Life Modeling Of Lithium-Ion Batteries, Gang Ning, Branko N. Popov
Cycle Life Modeling Of Lithium-Ion Batteries, Gang Ning, Branko N. Popov
Faculty Publications
A first-principles-based charge-discharge model was developed to simulate the capacity fade of Li-ion batteries. The model is based on the loss of active lithium ions due to solvent reduction reaction and on the rise of the anode film resistance. The effect of parameters such as exchange current density, depth of discharge (DOD), end of charge voltage, film resistance, and the overvoltage of parasitic reaction were studied quantitatively. The model controls the required DOD by controlling the discharge time and estimates the end of discharge voltages as a function of cycle number.
Solvent Diffusion Model For Aging Of Lithium-Ion Battery Cells, Harry J. Ploehn, Premanand Ramadass, Ralph E. White
Solvent Diffusion Model For Aging Of Lithium-Ion Battery Cells, Harry J. Ploehn, Premanand Ramadass, Ralph E. White
Faculty Publications
This work presents a rigorous continuum mechanics model of solvent diffusion describing the growth of solid-electrolyte interfaces (SEIs) in Li-ion cells incorporating carbon anodes. The model assumes that a reactive solvent component diffuses through the SEI and undergoes two-electron reduction at the carbon-SEI interface. Solvent reduction produces an insoluble product, resulting in increasing SEI thickness. The model predicts that the SEI thickness increases linearly with the square root of time. Experimental data from the literature for capacity loss in two types of prototype Li-ion cells validates the solvent diffusion model. We use the model to estimate SEI thickness and extract …
Series Solution To The Transient Convective Diffusion Equation For A Rotating Disk Electrode, Shiriram Santhanagopalan, Ralph E. White
Series Solution To The Transient Convective Diffusion Equation For A Rotating Disk Electrode, Shiriram Santhanagopalan, Ralph E. White
Faculty Publications
A series solution to the transient convective diffusion equation for the rotating disc electrode system is presented and compared to previously reported solutions. The solution presented here is for the entire time domain and agrees well with both the short and long time solutions presented earlier in the literature.
Parameter Estimates For A Pemfc Cathode, Qingzhi Guo, Vijay A. Sethuraman, Ralph E. White
Parameter Estimates For A Pemfc Cathode, Qingzhi Guo, Vijay A. Sethuraman, Ralph E. White
Faculty Publications
Five parameters of a model of a polymer electrolyte membrane fuel cell (PEMFC) cathode (the volume fraction of gas pores in the gas diffusion layer, the volume fraction of gas pores in the catalyst layer, the exchange current density of the oxygen reduction reaction, the effective ionic conductivity of the electrolyte, and the ratio of the effective diffusion coefficient of oxygen in a flooded spherical agglomerate particle to the square of that particle radius) were determined by least-squares fitting of experimental polarization curves. The values of parameters obtained in this work indicate that ionic conduction and gas-phase transport are two …
A Steady-State Impedance Model For A Pemfc Cathode, Qingzhi Guo, Ralph E. White
A Steady-State Impedance Model For A Pemfc Cathode, Qingzhi Guo, Ralph E. White
Faculty Publications
A model for the simulation of the steady-state impedance response of a polymer electrolyte membrane fuel cell (PEMFC) cathode is presented. The catalyst layer of the electrode is assumed to consist of many flooded spherical agglomerate particles surrounded by a small volume fraction of gas pores. Stefan-Maxwell equations are used to describe the multicomponent gas-phase transport occurring in both the gas diffusion layer and the catalyst layer of the electrode. Liquid-phase diffusion of O2 is assumed to take place in the flooded agglomerate particles. Newman’s porous electrode theory is applied to determine over-potential distributions. © 2004 The Electrochemical Society. All …
Ignition Behavior Of Live California Chaparral Leaves, Joshua D. Engstrom, Jared K. Butler, Steven G. Smith, Larry L. Baxter, Thomas H. Fletcher, David R. Weise
Ignition Behavior Of Live California Chaparral Leaves, Joshua D. Engstrom, Jared K. Butler, Steven G. Smith, Larry L. Baxter, Thomas H. Fletcher, David R. Weise
Faculty Publications
Current forest fire models are largely empirical correlations based on data from beds of dead vegetation. Improvement in model capabilities is sought by developing models of the combustion of live fuels. A facility was developed to determine the combustion behavior of small samples of live fuels, consisting of a flat-flame burner on a moveable platform. Qualitative and quantitative combustion data are presented for representative samples of California chaparral: manzanita (Arctostaphylos parryana); oak (Quercus berberidifolia); ceanothus (Ceanothus crassifolius), and chamise (Adenostoma fasciculatum). Times to ignition were significantly influenced by shape effects, whereas ignition temperature was more dependent on chemical composition
Modeling The Direct Solar Conversion Of Co2 To Co And O2, Thomas H. Fletcher
Modeling The Direct Solar Conversion Of Co2 To Co And O2, Thomas H. Fletcher
Faculty Publications
At high temperatures (greater than 2300 K), CO2 is known to dissociate to CO and O. A prototype solar collector was previously demonstrated to achieve such high temperatures, achieving 4-6 mol % CO in the product stream from an inlet stream of pure CO2. This paper describes the results of computer modeling performed to determine the flow, temperature, and reactions occurring in the prototype device. Of particular interest are the heat-transfer and reaction mechanisms involved and how much photolysis occurs in the prototype. Predictions were performed with two different computational fluid dynamic codes (Fluent and PCGC-3). The …