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Articles 691 - 720 of 914
Full-Text Articles in Chemical Engineering
Development Of A New Electrodeposition Process For Plating Of Zn-Ni-X (X = Cd, P) Alloys: I. Corrosion Characteristics Of Zn-Ni-Cd Ternary Alloys, Anand Durairajan, Bala S. Haran, Ralph E. White, Branko N. Popov
Development Of A New Electrodeposition Process For Plating Of Zn-Ni-X (X = Cd, P) Alloys: I. Corrosion Characteristics Of Zn-Ni-Cd Ternary Alloys, Anand Durairajan, Bala S. Haran, Ralph E. White, Branko N. Popov
Faculty Publications
A new Zn-Ni-Cd plating process was developed which offers a unique way of controlling and optimizing the Ni and Cd contents in the final deposit. Zinc-nickel-cadmium alloy was deposited from a 0.5 M NiSO4 + 0.2 M ZnSO4 bath in the presence of 0.015 M CdSO4 and 1 g/L nonyl phenyl polyethylene oxide. Using this process a Zn-Ni-Cd ternary alloy, with a higher nickel content as compared to that obtained from conventional Zn-Ni baths, was synthesized. The Zn-Ni-Cd alloy coatings deposited from an electrolyte containing 0.015 M (0.3%) CdSO4 has a Zn to Ni ratio of …
Ni-Composite Microencapsulated Graphite As The Negative Electrode In Lithium-Ion Batteries Ii: Electrochemical Impedance And Self-Discharge Studies, P. Yu, James A. Ritter, Ralph E. White, Branko N. Popov
Ni-Composite Microencapsulated Graphite As The Negative Electrode In Lithium-Ion Batteries Ii: Electrochemical Impedance And Self-Discharge Studies, P. Yu, James A. Ritter, Ralph E. White, Branko N. Popov
Faculty Publications
Electrochemical impedance and self-discharge studies were carried out to investigate lithium intercalation into bare and Ni-coated KS10 graphite. Values of the charge-transfer resistances, exchange current densities, surface film resistances, and lithium-ion diffusion coefficients as functions of the state of charge (SOC) all favored the 10 wt % Ni composite KS10 graphite over bare KS10 graphite when these materials were used as the negative electrode in a Li-ion cell with mixed organic electrolyte. The charge-transfer resistances were always lower and gave rise to between 26 and 27% larger exchange current densities, which increased from 137 to 614 mA/g as the SOC …
A Semianalytical Method For Predicting Primary And Secondary Current Density Distributions: Linear And Nonlinear Boundary Conditions, Dhanwa Thirumalai, Ralph E. White
A Semianalytical Method For Predicting Primary And Secondary Current Density Distributions: Linear And Nonlinear Boundary Conditions, Dhanwa Thirumalai, Ralph E. White
Faculty Publications
No abstract provided.
Development Of A New Electrodeposition Process For Plating Of Zn‐Ni‐X (X = Cd, P) Alloys: I. Corrosion Characteristics Of Zn‐Ni‐Cd Ternary Alloys, Anand Durairajan, Bala S. Haran, Ralph E. White, Branko Popov
Development Of A New Electrodeposition Process For Plating Of Zn‐Ni‐X (X = Cd, P) Alloys: I. Corrosion Characteristics Of Zn‐Ni‐Cd Ternary Alloys, Anand Durairajan, Bala S. Haran, Ralph E. White, Branko Popov
Faculty Publications
No abstract provided.
Computational Fluid Dynamics Modeling Of A Lithium/Thionyl Chloride Battery With Electrolyte Flow, W. B. Gu, C. Y. Wang, John W. Weidner, Rudolph G. Jungst, Ganesan Nagasubramanian
Computational Fluid Dynamics Modeling Of A Lithium/Thionyl Chloride Battery With Electrolyte Flow, W. B. Gu, C. Y. Wang, John W. Weidner, Rudolph G. Jungst, Ganesan Nagasubramanian
Faculty Publications
A two-dimensional model is developed to simulate discharge of a lithium/thionyl chloride primary battery. As in earlier one-dimensional models, the model accounts for transport of species and charge, and electrode porosity variations and electrolyte flow induced by the volume reduction caused by electrochemical reactions. Numerical simulations are performed using a finite volume method of computational fluid dynamics. The predicted discharge curves for various temperatures show good agreement with published experimental data, and are essentially identical to results published for one-dimensional models. The detailed two-dimensional flow simulations show that the electrolyte is replenished from the cell head space predominantly through the …
Development Of A New Electrodeposition Process For Plating Of Zn-Ni-X (X = Cd, P) Alloys: Permeation Characteristics Of Zn-Ni-Cd Ternary Alloys, A. Durairajan, B. S. Haran, Ralph E. White, Branko N. Popov
Development Of A New Electrodeposition Process For Plating Of Zn-Ni-X (X = Cd, P) Alloys: Permeation Characteristics Of Zn-Ni-Cd Ternary Alloys, A. Durairajan, B. S. Haran, Ralph E. White, Branko N. Popov
Faculty Publications
It is shown that an electrodeposited Zn-Ni-Cd alloy coating produced from sulfate electrolyte inhibits the discharge of hydrogen on carbon steel. The newly developed ternary alloys have approximately ten times higher corrosion resistance when compared to a Zn-Ni alloy. Hydrogen permeation characteristics of Zn-Ni-Cd alloy coatings were studied and compared with those of a bare and a Zn-Ni alloy coated steel. The transfer coefficient, a, exchange current density, io, thickness dependent adsorption-absorption rate constant, k0, recombination rate constant, k3, surface hydrogen coverage, θH, were obtained by applying a mathematical model to experimental results. Alloys obtained from baths containing higher concentration …
Modeling Lithium Intercalation Of A Single Spinel Particle Under Potentiodynamic Control, Dong Zhang, Branko N. Popov, Ralph E. White
Modeling Lithium Intercalation Of A Single Spinel Particle Under Potentiodynamic Control, Dong Zhang, Branko N. Popov, Ralph E. White
Faculty Publications
A mathematical model is presented for the lithium intercalation of a single spinel particle as a microelectrode under the stimulus of a cyclic linear potential sweep. The model includes both lithium diffusion within the particle and kinetics at the particle/electrolyte interface. The model is used to predict that peak current densities depend linearly on the scan rate to a certain power with a constant term, which is different from the predicted peak current density for a conventional redox system.
Shrinking Core Model For The Discharge Of A Metal Hydride Electrode, Venkat R. Subramanian, Harry J. Ploehn, Ralph E. White
Shrinking Core Model For The Discharge Of A Metal Hydride Electrode, Venkat R. Subramanian, Harry J. Ploehn, Ralph E. White
Faculty Publications
A shrinking core model is presented for the galvanostatic discharge of a metal hydride particle. A quantitative criterion for when the shrinking core can be completely neglected or approximated by a pseudosteady-state solution is presented. The effect of shrinking of the core on the discharge behavior of a metal hydride particle is also studied.
Modeling High Pressure Char Oxidation Using Langmuir Kinetics With An Effectiveness Factor, Jianhui Hong, William C. Hecker, Thomas H. Fletcher
Modeling High Pressure Char Oxidation Using Langmuir Kinetics With An Effectiveness Factor, Jianhui Hong, William C. Hecker, Thomas H. Fletcher
Faculty Publications
The global nth order rate equation has been criticized for lack of theoretical basis and has been shown to be inadequate for modeling char oxidation rates as a function of total gas pressure. The simple Langmuir rate equation is believed to have more potential for modeling high pressure char oxidation. The intrinsic Langmuir rate equation is applied to graphite flake oxidation data and agrees well with reaction rates at three temperatures over the entire range of oxygen pressure (1–64 atm). It also explains the change of reaction order with temperature. In this work, the intrinsic Langmuir rate equation is combined …
Modeling Nitrogen Evolution During Coal Pyrolysis Based On A Global Free-Radical Mechanism, Steven T. Perry, Thomas H. Fletcher
Modeling Nitrogen Evolution During Coal Pyrolysis Based On A Global Free-Radical Mechanism, Steven T. Perry, Thomas H. Fletcher
Faculty Publications
A global free-radical mechanism and an associated rate equation for the evolution of light gas nitrogen during coal devolatilization are presented. The light gas nitrogen rate equation was used to modify an existing nitrogen model so that only a network devolatilization model and coal-specific chemical structural input data are required to adequately predict light gas nitrogen release at a variety of pyrolysis conditions. Model predictions show good agreement with nitrogen release data from pyrolysis of coals of rank from lignite to low volatile bituminous at heating rates from 0.5 to 105 K/s, temperatures as high as 2300 K, and …
Improving The Accuracy Of Predicting Effectiveness Factors For Mth Order And Langmuir Rate Equations In Spherical Coordinates, Jianhui Hong, William C. Hecker, Thomas H. Fletcher
Improving The Accuracy Of Predicting Effectiveness Factors For Mth Order And Langmuir Rate Equations In Spherical Coordinates, Jianhui Hong, William C. Hecker, Thomas H. Fletcher
Faculty Publications
Char oxidation is often modeled using an mth order intrinsic reaction rate in conjunction with an effectiveness factor to account for intraparticle diffusion of gas species. This approach involves the use of a general modulus (MT) and using the first-order curve of effectiveness factor vs MT. This method was originally referred to as the general asymptotic solution. It has been suggested that a simple Langmuir rate equation is more suitable for modeling the effects of pressure on char reactivity. Therefore, several methods of developing general moduli for the Langmuir rate expression are shown. The general asymptotic …
The Use Of Two Mixture Fractions To Treat Coal Combustion Products In Turbulent Pulverized-Coal Flames, Daniel V. Flores, Thomas H. Fletcher
The Use Of Two Mixture Fractions To Treat Coal Combustion Products In Turbulent Pulverized-Coal Flames, Daniel V. Flores, Thomas H. Fletcher
Faculty Publications
Previous coal combustion models using assumed-shape PDF's to treat turbulence-chemistry interactions have used only one progress variable to treat products from coal reactions. This assumes that the products of all coal reactions have the same composition. However. the composition of the combustion products of coal particles is known to vary with burnout, especially between devclatilization and char oxidation. In this work, two progress variables were implemented which distinguish between the products of devolatilization and those of char oxidation. This new approach requires as input the specified volatile content and elemental release during devolatilization. The values for these parameters were estimated …
Simulation And Density Functional Study Of A Simple Membrane Separating Two Restricted Primitive Model Electrolytes, Richard L. Rowley, Dezso Boda, Douglas Henderson, Stefan Sokolowski
Simulation And Density Functional Study Of A Simple Membrane Separating Two Restricted Primitive Model Electrolytes, Richard L. Rowley, Dezso Boda, Douglas Henderson, Stefan Sokolowski
Faculty Publications
A simple membrane, supporting charge densities on its inner and outer surfaces, is considered. In addition to the electrostatic potential, the membrane interacts with the surrounding fluid by a short range van der Waals-like potential. The fluid beyond the outer surface is a three-component restricted primitive electrolyte consisting of two cations and one anion. The membrane is impermeable to one of the cations so that the fluid in the membrane and beyond the inner surface is a two-component restricted primitive electrolyte. We use Monte Carlo simulations and density functional theory to study the density profiles of the electrolyte and the …
Ultrasonic Enhancement Of Antibiotic Action On Escherichia Coli Biofilms: An In Vivo Model, Andrea M. Rediske, Beverly L. Roeder, Maren K. Brown, Jared L. Nelson, Rachel L. Robison, David O. Draper, G. Bruce Schaalje, Richard A. Robison, William G. Pitt
Ultrasonic Enhancement Of Antibiotic Action On Escherichia Coli Biofilms: An In Vivo Model, Andrea M. Rediske, Beverly L. Roeder, Maren K. Brown, Jared L. Nelson, Rachel L. Robison, David O. Draper, G. Bruce Schaalje, Richard A. Robison, William G. Pitt
Faculty Publications
Biofilm infections are a common complication of prosthetic devices in humans. Previous in vitro research has determined that low-frequency ultrasound combined with aminoglycoside antibiotics is an effective method of killing biofilms. We report the development of an in vivo model to determine if ultrasound enhances antibiotic action. Two 24-h-old Escherichia coli (ATCC 10798) biofilms grown on polyethylene disks were implanted subcutaneously on the backs of New Zealand White female rabbits, one on each side of the spine. Low-frequency (28.48-kHz) and low-power-density (100- and 300-mW/cm2) continuous ultrasound treatment was applied for 24 h with and without systemic administration of gentamicin. The …
The Behavior Of Inorganic Material In Biomass-Fired Power Boilers: Field And Laboratory Experiences, Larry Lin Baxter 8507091, Thomas R. Miles, Thomas R. Miles Jr, Bryan M. Jenkins, Thomas Milne, David Dayton, Richard W. Bryers, Larry L. Oden
The Behavior Of Inorganic Material In Biomass-Fired Power Boilers: Field And Laboratory Experiences, Larry Lin Baxter 8507091, Thomas R. Miles, Thomas R. Miles Jr, Bryan M. Jenkins, Thomas Milne, David Dayton, Richard W. Bryers, Larry L. Oden
Faculty Publications
This paper highlights some of the major findings of the Alkali Deposits Investigation, a collaborative effort to understand the causes of unmanageable ash deposits in biomass-fired electric power boilers. A group of interested industrial institutions and the US DOE Energy Efficiency and Renewable Energy Office's Biomass Power Program through the National Renewable Energy Laboratory jointly sponsored the project. The industries contributed both funding and, in most cases, use of facilities to the project and included Mendota Biomass Power and Woodland Biomass Power (both associated with Thermo Electron Energy Systems), CMS Generation Operating (formerly Hydra-Co Operations), Wheelabrator, Shasta and Hudson Energy, …
Combustion Properties Of Biomass, B. M. Jenkins, Larry Lin Baxter 8507091, T. R. Miles Jr, T. R. Miles
Combustion Properties Of Biomass, B. M. Jenkins, Larry Lin Baxter 8507091, T. R. Miles Jr, T. R. Miles
Faculty Publications
Properties of biomass relevant to combustion are briefly reviewed. The compositions of biomass among fuel types are variable, especially with respect to inorganic constituents important to the critical problems of fouling and slagging. Alkali and alkaline earth metals, in combination with other fuel elements such as silica and sulfur, and facilitated by the presence of chlorine, are responsible for many undesirable reactions in combustion furnaces and power boilers. Reductions in the concentrations of alkali metals and chlorine, created by leaching the elements from the fuel with water, yield remarkable improvements in ash fusion temperatures and confirm much of what is …
Determination Of A Methane Intermolecular Potential Model For Use In Molecular Simulations From Ab Initio Calculations, Richard L. Rowley, Tapani A. Pakkanen
Determination Of A Methane Intermolecular Potential Model For Use In Molecular Simulations From Ab Initio Calculations, Richard L. Rowley, Tapani A. Pakkanen
Faculty Publications
The possibility of obtaining an accurate site-site potential model suitable for use in molecular dynamics (MD) simulations of methane from ab initio calculations has been explored. Counterpoise-corrected (CPC), supermolecule, ab initio energies at the MP2/6-311 + G(2df,2pd) level were computed for eleven relative orientations of two methane molecules as a function of C-C separation distance. C-C, C-H, and H-H interaction parameters in a pairwise-additive, site-site potential model for rigid methane molecules were regressed from the ab initio energies, and the resultant model accurately reproduced the ab initio energies. The model suggests that C-H attractions are dominant in weakly binding the …
Development And Application Of A Correlation Of 13c Nmr Chemical Structural Analyses Of Coal Based On Elemental Composition And Volatile Matter Content, Dominic Genetti, Thomas H. Fletcher, Ronald J. Pugmire
Development And Application Of A Correlation Of 13c Nmr Chemical Structural Analyses Of Coal Based On Elemental Composition And Volatile Matter Content, Dominic Genetti, Thomas H. Fletcher, Ronald J. Pugmire
Faculty Publications
13C NMR spectroscopy has been shown to be an important tool in the characterization of coal structure. Important quantitative information about the carbon skeletal structure is obtained through 13C NMR spectral analysis of coal. Solid-state 13C NMR analysis techniques have progressed beyond the mere determination of aromaticity and can now describe features such as the number of aromatic carbons per cluster and the number of attachments per aromatic cluster. These 13C NMR data have been used to better understand the complicated structure of coal, to compare structural differences in coal, tar, and char, and to model …
Analysis Of A Lithium/Thionyl Chloride Battery Under Moderate-Rate Discharge, Mukul Jain, Ganesan Nagasubramanian, Rudolph G. Jungst, John W. Weidner
Analysis Of A Lithium/Thionyl Chloride Battery Under Moderate-Rate Discharge, Mukul Jain, Ganesan Nagasubramanian, Rudolph G. Jungst, John W. Weidner
Faculty Publications
A one-dimensional mathematical model of a spirally wound lithium/thionyl chloride primary battery is developed and used for parameter estimation and design studies. The model formulation is based on the fundamental conservation laws using porous electrode theory and concentrated solution theory. The model is used to estimate the transference number, the diffusion coefficient, and the kinetic parameters for the reactions at the anode and the cathode as a function of temperature. These parameters are obtained by fitting the simulated capacity and average cell voltage to experimental data over a wide range of temperatures (–55 to 49°C) and discharge loads (10-250 ). …
Determination Of The Lithium Ion Diffusion Coefficient In Graphite, Ping Yu, Branko N. Popov, James A. Ritter, Ralph E. White
Determination Of The Lithium Ion Diffusion Coefficient In Graphite, Ping Yu, Branko N. Popov, James A. Ritter, Ralph E. White
Faculty Publications
A complex impedance model for spherical particles was used to determine the lithium ion diffusion coefficient in graphite as a function of the state of charge (SOC) and temperature. The values obtained range from of 1.12 × 10–10 to 6.51 × 10–11 cm2/s at 25°C for 0 and 30% SOC, respectively, and for 0% SOC, the value at 55°C was 1.35 × 10–10 cm2/s. The conventional potentiostatic intermittent titration technique (PITT) and Warburg impedance approaches were also evaluated, and the advantages and disadvantages of these techniques were exposed
Material Balance Modification In One-Dimensional Modeling Of Porous Electrodes, Mukul Jain, John W. Weidner
Material Balance Modification In One-Dimensional Modeling Of Porous Electrodes, Mukul Jain, John W. Weidner
Faculty Publications
The material balance used previously in one-dimensional mathematical models of porous electrodes is invalid when there is a non-zero volume change associated with the reaction. It is shown here how the material balance should be modified either to account for a loss in volume, or to account for an inflow of electrolyte from the header into the active pores. A one-dimensional mathematical model is used to illustrate the effect of this correction on the prediction of the delivered capacity and the electrolyte concentration in a lithium/thionyl chloride primary battery.
Correlation Of Double-Layer Capacitance With The Pore Structure Of Sol-Gel Derived Carbon Xerogels, Chuan Lin, James A. Ritter, Branko N. Popov
Correlation Of Double-Layer Capacitance With The Pore Structure Of Sol-Gel Derived Carbon Xerogels, Chuan Lin, James A. Ritter, Branko N. Popov
Faculty Publications
Nine different sol-gel derived carbon xerogels were prepared with different pore structures by varying the carbonization temperature (in flowing N2) and activation time (in 5% CO2 in N2). For each of these carbon xerogels, mesopore and micropore size distributions and cumulative surface areas were extracted from a density functional theory analysis. Increasing the carbonization temperature caused a decrease in the number of micropores in the 6 Å range but had little effect on the mesopore size distribution and thus mesopore cumulative surface area. Increasing the CO2 activation time caused an increase in the number …
A Mathematical Model Of An Electrochemical Capacitor With Double-Layer And Faradaic Processes, Chuan Lin, James A. Ritter, Branko N. Popov, Ralph E. White
A Mathematical Model Of An Electrochemical Capacitor With Double-Layer And Faradaic Processes, Chuan Lin, James A. Ritter, Branko N. Popov, Ralph E. White
Faculty Publications
A mathematical model of an electrochemical capacitor with hydrous ruthenium oxide (RuO2·xH2O) electrodes including both double-layer and surface faradaic processes is developed to predict the behavior of the capacitor under conditions of galvanostatic charge and discharge. The effect of RuO2·xH2O particle size is studied and shows that the smaller the particles the better the performance because of the increased surface area per unit volume or mass. The model also predicts that the faradaic process increases significantly the energy per unit volume of the capacitor for power densities of …
Development Of Carbon-Metal Oxide Supercapacitors From Sol-Gel Derived Carbon-Ruthenium Xerogels, Chuan Lin, James A. Ritter, Branko N. Popov
Development Of Carbon-Metal Oxide Supercapacitors From Sol-Gel Derived Carbon-Ruthenium Xerogels, Chuan Lin, James A. Ritter, Branko N. Popov
Faculty Publications
Sol-gel derived high surface area carbon-ruthenium xerogels were prepared from carbonized resorcinol-formaldehyde resins containing an electrochemically active form of ruthenium oxide. The electrochemical capacitance of these materials increased with an increase in the ruthenium content indicating the presence of pseudocapacitance associated with the ruthenium oxide undergoing reversible faradaic redox reactions. A specific capacitance of 256 F/g (single electrode) was obtained from a carbon xerogel containing 14 wt % Ru, which corresponded to more than 50% utilization of the ruthenium. The double layer accounted for 40% of this capacitance. This material was also electrochemically stable, showing no change in a cyclic …
A Mathematical Model For Electroless Copper Deposition On Planar Substrates, M. Ramasubramanian, Branko N. Popov, Ralph E. White, K. S. Chen
A Mathematical Model For Electroless Copper Deposition On Planar Substrates, M. Ramasubramanian, Branko N. Popov, Ralph E. White, K. S. Chen
Faculty Publications
A mathematical model for the electroless deposition of copper on a planar electrode is presented and used to make time-dependent predictions on the various quantities in the system. The model takes into account mass transport by diffusion and migration, Butler-Volmer kinetics at the electrode surface, and mixed potential theory. A finite difference approach is used to solve the equations, and the resultant model is used to predict the concentration profiles, potential response, and plating rate as a function of time and concentration of various reactive components.
Mathematical Modeling Of The Lithium Deposition Overcharge Reaction In Lithium‐Ion Batteries Using Carbon‐Based Negative Electrodes, Pankaj Arora, Marc Doyle, Ralph E. White
Mathematical Modeling Of The Lithium Deposition Overcharge Reaction In Lithium‐Ion Batteries Using Carbon‐Based Negative Electrodes, Pankaj Arora, Marc Doyle, Ralph E. White
Faculty Publications
No abstract provided.
Influence Of Some Design Variables On The Thermal Behavior Of A Lithium‐Ion Cell, Gerardine G. Botte, Bradley A. Johnson, Ralph E. White
Influence Of Some Design Variables On The Thermal Behavior Of A Lithium‐Ion Cell, Gerardine G. Botte, Bradley A. Johnson, Ralph E. White
Faculty Publications
No abstract provided.
A Simple Method For Determining Differential Diffusion Coefficients From Aqueous Electrolyte Diaphragm Cell Data At Temperatures Below 0°C, D. M. See, Ralph E. White
A Simple Method For Determining Differential Diffusion Coefficients From Aqueous Electrolyte Diaphragm Cell Data At Temperatures Below 0°C, D. M. See, Ralph E. White
Faculty Publications
No abstract provided.
Methanol Fuel Cell Model: Anode, S. F. Baxter, V. S. Battaglia, Ralph E. White
Methanol Fuel Cell Model: Anode, S. F. Baxter, V. S. Battaglia, Ralph E. White
Faculty Publications
No abstract provided.
Mathematical Modeling Of Electrochemical Capacitors, Venkat Srinivasan, John W. Weidner
Mathematical Modeling Of Electrochemical Capacitors, Venkat Srinivasan, John W. Weidner
Faculty Publications
Analytic solutions to the mathematical model of an electrochemical capacitor (EC) are used to study cell performance under two types of operating conditions: (i) constant current and (ii) electrochemical impedance spectroscopy. The analytic solution under constant-current operation is used to investigate the relative importance of ionic resistance in the separator, and ionic and electronic resistances in the porous electrode in the design and operation of an EC. Model results are presented that show the trade-off between energy and power density, as the physical properties of the cell components are varied (e.g., electrode thickness). The analytic solution …