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Articles 601 - 630 of 914
Full-Text Articles in Chemical Engineering
Interphase Exchange Coupling In Fe/Sm-Co Bilayers With Gradient Fe Thickness, Ming-Hui Yu, Jason R. Hattrick-Simpers, Ichiro Takeuchi, Jing Li, Z. L. Wang, J. P. Liu, S. E. Lofland, Somdev Tyagi, J. W. Freeland, D. Giubertoni, M. Bersani, M. Anderle
Interphase Exchange Coupling In Fe/Sm-Co Bilayers With Gradient Fe Thickness, Ming-Hui Yu, Jason R. Hattrick-Simpers, Ichiro Takeuchi, Jing Li, Z. L. Wang, J. P. Liu, S. E. Lofland, Somdev Tyagi, J. W. Freeland, D. Giubertoni, M. Bersani, M. Anderle
Faculty Publications
We have fabricated Fe∕Sm–Co bilayers with gradient Fe thicknesses in order to systematically study the dependence of exchange coupling on the thickness of the Fe layer. The Fe layer was deposited at two different temperatures (150 and 300°C) to study the effect of deposition temperature on the exchange coupling. Magneto-optical Kerr effect and x-ray magnetic circular dichroism (XMCD) have been employed as nondestructive rapid characterization tools to map the magnetic properties of the gradient samples. Systematic enhancement in exchange coupling between the soft layer and the hard layer is observed as the soft layer thickness is decreased. Separate exchange couplings …
Tunable Multiferroic Properties In Nanocomposite Pbtio3-Cofe2O4 Epitaxial Thin Films, M. Murakami, K.-S. Chang, M. A. Aronova, C.-L. Lin, Ming H. Yu, Jason R. Hattrick-Simpers, M. Wuttig, I. Takeuchi, C. Gao, B. Hu, S. E. Lofland, L. A. Knauss, L. A. Bendersky
Tunable Multiferroic Properties In Nanocomposite Pbtio3-Cofe2O4 Epitaxial Thin Films, M. Murakami, K.-S. Chang, M. A. Aronova, C.-L. Lin, Ming H. Yu, Jason R. Hattrick-Simpers, M. Wuttig, I. Takeuchi, C. Gao, B. Hu, S. E. Lofland, L. A. Knauss, L. A. Bendersky
Faculty Publications
We report on the synthesis of PbTiO3–CoFe2O4 multiferroic nanocomposites and continuous tuning of their ferroelectric and magnetic properties as a function of the average composition on thin-film composition spreads. The highest dielectric constant and nonlinear dielectric signal was observed at (PbTiO3)85–(CoFe2O4)15, where robust magnetism was also observed. Transmission electron microscopy revealed a pancake-shaped epitaxial nanostructure of PbTiO3 on the order of 30 nm embedded in the matrix of CoFe2O4 at this composition. Composition dependent ferroics properties observed here indicate that there …
Effects Of Dynamic Fluid Pressure On Chondrocytes Cultured In Biodegradable Poly(Glycolic Acid) Fibrous Scaffolds, Lichun Lu, Xun Zhu, Larry G. Pederson, Esmaiel Jabbari, Bradford Currier, Shawn O'Driscoll, Michael Yaszemski
Effects Of Dynamic Fluid Pressure On Chondrocytes Cultured In Biodegradable Poly(Glycolic Acid) Fibrous Scaffolds, Lichun Lu, Xun Zhu, Larry G. Pederson, Esmaiel Jabbari, Bradford Currier, Shawn O'Driscoll, Michael Yaszemski
Faculty Publications
No abstract provided.
Transient Analysis Of A Porous Electrode, Sheba Devan, Venkat R. Subramanian, Ralph E. White
Transient Analysis Of A Porous Electrode, Sheba Devan, Venkat R. Subramanian, Ralph E. White
Faculty Publications
An analytical expression is presented for the voltage response including the transient voltage for a simple (i.e., no concentration gradients) porous electrode model subject to a sinusoidal input current density. The transient voltage response as a function of the frequency, exchange current density, and double layer capacitance is studied independent of the periodic (steady state) voltage response. The change in the voltage response in the transient region is compared to that of the periodic voltage response with respect to the parameters. The physical properties of the porous electrode can be estimated using the voltage response in the transient …
Cubic Spline Regression For The Open-Circuit Potential Curves Of A Lithium-Ion Battery, Qingzhi Guo, Ralph E. White
Cubic Spline Regression For The Open-Circuit Potential Curves Of A Lithium-Ion Battery, Qingzhi Guo, Ralph E. White
Faculty Publications
A cubic spline regression model was used to fit the experimental open-circuit potential (OCP) curves of two intercalation electrodes of a lithium-ion battery. All the details of an OCP curve were accurately predicted by the resulting model. The number of regression intervals used to fit an OCP curve was determined in a way such that in each regression interval the OCP exhibits a profile predictable by a third-order polynomial. The locations of the data points used to separate regression intervals were optimized. Compared to a polynomial model with the same number of fitting parameters, the cubic spline regression model is …
A Mathematical Model For A Lithium-Ion Battery/Electrochemical Capacitor Hybrid System, Godfrey Sikha, Ralph E. White, Branko N. Popov
A Mathematical Model For A Lithium-Ion Battery/Electrochemical Capacitor Hybrid System, Godfrey Sikha, Ralph E. White, Branko N. Popov
Faculty Publications
A one-dimensional model for predicting the performance of a battery/electrochemical capacitor-hybrid system has been developed. Simulation results are presented for a LiCoO2|LiPF6 ethylene carbonate/dimethyl carbonate|carbon battery system and a Maxwell PC 10F carbon double-layer electrochemical capacitor. The current shared between the battery and the electrochemical capacitor at very short times depends on the ohmic resistances of the battery and the capacitor. As the discharge proceeds, the operating conditions such as frequency, duty ratio, and peak pulse discharge current control the current shared among parallel circuits. These parameters also determine the extent of the run time increase of …
Effects Of Pressure On Coal Pyrolysis And Char Morphology, Dong Zeng, Thomas H. Fletcher
Effects Of Pressure On Coal Pyrolysis And Char Morphology, Dong Zeng, Thomas H. Fletcher
Faculty Publications
A better understanding of high-pressure coal pyrolysis is needed to design advanced coal gasification combined-cycle systems. High-temperature, high-heating-rate, and high-pressure pyrolysis experiments were conducted on three bituminous coals and a lignite, to more fully understand the effects of pressure on resultant char properties. A flat-flame burner was designed and used inside a high-pressure drop-tube reactor to provide a high-temperature, high-heatingrate environment that is representative of industrial processes. Chars were prepared at four different pressures, ranging from 0.85 atm to 15 atm. The measured total volatiles yields compared well with predictions of the Chemical Percolation Devolatilization (CPD) model. The physical properties …
Simulated Land-Based Turbine Deposits Generated In An Accelerated Deposition Facility, Jared W. Jensen, Sean W. Squire, Jeffrey P. Bons, Thomas H. Fletcher
Simulated Land-Based Turbine Deposits Generated In An Accelerated Deposition Facility, Jared W. Jensen, Sean W. Squire, Jeffrey P. Bons, Thomas H. Fletcher
Faculty Publications
This report presents a validation of the design and operation of an accelerated testing facility for the study of foreign deposit layers typical to the operation of land-based gas turbines. This facility was designed to produce turbine deposits in a 4-h test that would simulate 10,000 h of turbine operation. This is accomplished by matching the net foreign particulate throughput of an actual gas turbine. Flow Mach number, temperature and particulate impingement angle are also matched. Validation tests were conducted to model the ingestion of foreign particulate typically found in the urban environment. The majority of this particulate is ceramic …
Observations Of Flame Behavior In A Laboratory-Scale Premixed Natural Gas/Air Gas Turbine Combustor From Planar Laser Induced Fluorescence Measurements Of Oh, Laser Doppler Anemometer Velocity Measurements, And Coherent Anti-Stokes Roman Spectrometer Temperature Measurements, Thomas H. Fletcher
Faculty Publications
Instantaneous planar laser induced fluorescence (PLIF) images of OH, simultaneous axial/radial and axial/tangential velocity measurements with an LDA (laser Doppler anemometer), and instantaneous gas temperature measurements using a coherent anti- Stokes Raman spectrometer (CARS) were obtained in a pre-mixed, swirl-stabilized laboratory-scale combustor, fired with natural gas. Four operating conditions were examined (two swirl conditions and equivalence ratios of 0.80 and 0.65). The instantaneous PLIF images of OH illustrate the chaotic nature of the turbulent flame eddies. Mean and standard deviations of each variable were measured at different locations in the flame, along with probability density functions. Stability of the flame …
Swelling Properties And Intrinsic Reactivities Of Coal Chars Produced At Elevated Pressures And High Heating Rates, Dong Zeng, Michael Clark, Todd Gunderson, William C. Hecker, Thomas H. Fletcher
Swelling Properties And Intrinsic Reactivities Of Coal Chars Produced At Elevated Pressures And High Heating Rates, Dong Zeng, Michael Clark, Todd Gunderson, William C. Hecker, Thomas H. Fletcher
Faculty Publications
A high-temperature, high-pressure flat-flame burner reactor was developed to prepare char at different pressures. This system achieves particle heating rates of 105 K/s, which better mimics industrial conditions than conventional drop tube or radiative flow reactors. Previous data at atmospheric pressure demonstrated a significant decrease in particle swelling during devolatilization as heating rates increased from 104 K/s (the typical drop tube heating rate) to 105 K/s. Pyrolysis experiments were performed at pressures from 1 to 15 atm at 1300 C for two bituminous coals and a lignite. Average swelling was determined from a combination of the mass …
Polymerization Kinetics Of Peo-B-Pnipaam Block Copolymers, William G. Pitt, Yi Zeng
Polymerization Kinetics Of Peo-B-Pnipaam Block Copolymers, William G. Pitt, Yi Zeng
Faculty Publications
Our research in ultrasonic activated drug delivery motivated us to develop polymeric micelles that sequester hydrophobic drugs (Fig. 1) until they are sheared open by cavitation events produced by low frequency ultrasound (Fig. 2). [1] Using this type of drug delivery system, micelles sequestering drug can circulate freely without releasing their drug until they flow through a tumor or other tissue insonated by low frequency ultrasound. There they release part of their drug (Fig. 3). [2,3] This drug delivery technology was used to reduce tumors in a rat model [4] using block copolymers of PEO and PPO. However, we are …
Mechanism Of Targeted Chemotherapeutic Delivery Using Ultrasound, Thaidra A. Gaufin, Byron K. Murray, Seiga Ohmine, Kim L. O'Neill, William G. Pitt, Briant S. Stringham
Mechanism Of Targeted Chemotherapeutic Delivery Using Ultrasound, Thaidra A. Gaufin, Byron K. Murray, Seiga Ohmine, Kim L. O'Neill, William G. Pitt, Briant S. Stringham
Faculty Publications
Ultrasound (US) is used to enhance and target delivery of drugs and genes to cancer tissues. The advantages of focused delivery to select tissues are manifold, but the exact mechanisms are largely unknown and need clarification to optimize delivery. The present study further defined the role of collapse cavitation in US-induced permeabilization of cell membranes and subsequent drug or gene uptake by the cell. Cavitation, defined as the collapse of micro-bubbles, produces high shear stresses and shock waves that may transiently puncture cell membranes and has been suggested as the cause of increased permeability. The hypothesis that collapsing bubbles permeabilize …
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 …
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 …
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.
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 …
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.
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 …
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.
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 …
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 …
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 …
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 …
In Situ Uv-Visible Assessment Of Extent Of Reduction During Oxidation Reactions On Oxide Catalysts, Morris D. Argyle, Kaidong Chen, Carlo Resini, Catherine Krebs, Alexis T. Bell, Enrique Iglesia
In Situ Uv-Visible Assessment Of Extent Of Reduction During Oxidation Reactions On Oxide Catalysts, Morris D. Argyle, Kaidong Chen, Carlo Resini, Catherine Krebs, Alexis T. Bell, Enrique Iglesia
Faculty Publications
The extent of reduction of active centers during oxidative alkane dehydrogenation on VOx/Al2O3 was measured from pre-edge UV-visible spectral features and found to increase with increasing VOx domain size and propane/O2 ratio.
Effects Of Solvent Model Flexibility On Aqueous Electrolyte Behavior Between Electrodes, Richard L. Rowley, John N. Harb, Clint G. Guymon, Matthew L. Hunsaker, Douglas Henderson
Effects Of Solvent Model Flexibility On Aqueous Electrolyte Behavior Between Electrodes, Richard L. Rowley, John N. Harb, Clint G. Guymon, Matthew L. Hunsaker, Douglas Henderson
Faculty Publications
Molecular dynamics simulations have been carried out for aqueous electrolyte solutions between model electrode surfaces. The effect of solvent model flexibility on bult and double layer properties was observed for electrode surface charge densities of 0, 0.1 and 0.2 and ion concentrations of 0, 0.5 and 1 M. Two flexible models were used to isolate the effects of flexibility from the effects of a change in the condensed-phase dipole moment. Model flexibility increases the pure water self-diffusion coefficient while a larger liquid diple moment substantially decreases it. There is an increase in ion contact adsorption and counter ion affinity with …