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Full-Text Articles in Engineering
Mathematical Modeling Of A Primary Zinc/Air Battery, Z. Mao, Ralph E. White
Mathematical Modeling Of A Primary Zinc/Air Battery, Z. Mao, Ralph E. White
Ralph E. White
The mathematical model developed by Sunu and Bennion has been extended to include the separator, precipitation of both solid ZnO and K2Zn(OH)4, and the air electrode, and has been used to investigate the behavior of a primary Zn-Air battery with respect to battery design features. Predictions obtained from the model indicate that anode material utilizationis predominantly limited by depletion of the concentration of hydroxide ions. The effect of electrode thickness on anode material utilization is insignificant, whereas material loading per unit volume has a great effect on anode material utilization; a higher loading lowers both the anode material utilization and …
Governing Equations For Transport In Porous Electrodes, Pauline De Vidts, Ralph E. White
Governing Equations For Transport In Porous Electrodes, Pauline De Vidts, Ralph E. White
Ralph E. White
No abstract provided.
The Effect Of Particle Size On The Discharge Performance Of A Nickel-Metal Hydride Cell, Jussi M. Heikonen, Harry J. Ploehn, Ralph E. White
The Effect Of Particle Size On The Discharge Performance Of A Nickel-Metal Hydride Cell, Jussi M. Heikonen, Harry J. Ploehn, Ralph E. White
Ralph E. White
We investigate the effect of particle size on the discharge performance of a nickel-metal hydride cell with a mathematical model. Electrodes with uniform as well as with nonuniform particle sizes are studied. With uniform particle size, the dependence of the particle-to-particle resistance on the particle size is taken into account. The optimal particle size depends on the discharge rate. Moreover, we show that under certain conditions it is advantageous to use a nonuniform particle size. In general, the higher the discharge current density, the more the particle size affects the electrode performance.
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
Ralph E. White
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 …
Modeling Of A Nickel-Hydrogen Cell: Phase Reactions In The Nickel Active Material, B. Wu, Ralph E. White
Modeling Of A Nickel-Hydrogen Cell: Phase Reactions In The Nickel Active Material, B. Wu, Ralph E. White
Ralph E. White
No abstract provided.
Current Distribution In A Horizon® Lead-Acid Battery During Discharge, Z. Mao, Ralph E. White, B. Jay
Current Distribution In A Horizon® Lead-Acid Battery During Discharge, Z. Mao, Ralph E. White, B. Jay
Ralph E. White
A simple mathematical model is presented and used to analyze the potential and current distributions in a HORIZON® sealed lead-acid battery. It was found that an increase in the thickness of an electrode would not enhance the discharge rate of that electrode; instead, it causes the transfer current distribution to be less uniform in the electrode. Also, the ohmic drop across the separator would decrease with a decrease in the thickness of the separator more rapidly when the thickness is small than when it is large. In addition, it was found that efficient high-capacity, high-rate electrodes must consider the electrode …
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
Ralph E. White
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 charge …
Theoretical Analysis Of Metal Hydride Electrodes: Studies On Equilibrium Potential And Exchange Current Density, Bala S. Haran, Branko N. Popov, Ralph E. White
Theoretical Analysis Of Metal Hydride Electrodes: Studies On Equilibrium Potential And Exchange Current Density, Bala S. Haran, Branko N. Popov, Ralph E. White
Ralph E. White
A theoretical model for the metal hydride electrode has been developed assuming that hydrogen diffusion in the alloy and charge-transfer at the surface control the discharge process. Theoretical equations for the dependence of equilibrium potential and exchange current density on the surface hydrogen concentration have been derived. These parameters have been used to correlate experimental data with the theoretical electrode discharge model. Analysis of both the experimental and theoretical discharge curves reveals a potential plateau determined by the magnitude of the interactions between the hydrogen in the alloy and the unhydrided metal. Neglecting these hydrogen-metal site interactions results in simulations …
A Mathematical Model Of A Lithium/Thionyl Chloride Primary Cell, T. I. Evans, T. V. Nguyen, Ralph E. White
A Mathematical Model Of A Lithium/Thionyl Chloride Primary Cell, T. I. Evans, T. V. Nguyen, Ralph E. White
Ralph E. White
A one-dimensional mathematical model for the lithium/thionyl chloride primary cell has been developed to investigate methods of improving its performance and safety. The model includes many of the components of a typical lithium/thionyl chloride cell such as the porous lithium chloride film which forms on the lithium anode surface. The governing equations are formulated from fundamental conservation laws using porous electrode theory and concentrated solution theory. The model is used to predict one-dimensional, time dependent profiles of concentration, porosity, current, and potentialas well as cell temperature and voltage. When a certain discharge rate is required, the model can be used …
Electrochemical Characterization Of Electronically Conductive Polypyrrole On Cyclic Voltammograms, Taewhan Yeu, Ken-Ming Yin, Jose Carbajal, Ralph E. White
Electrochemical Characterization Of Electronically Conductive Polypyrrole On Cyclic Voltammograms, Taewhan Yeu, Ken-Ming Yin, Jose Carbajal, Ralph E. White
Ralph E. White
Experimental and theoretical cyclic voltammograms for electronically conducting polypyrrole film are obtained from the identical conditions and compared to each other to characterize electrochemical behavior of the polymer. A comparison of the simulated and experimental cyclic yoltammograms shows quantitative agreement. The profiles of the dependent variables show that the switching process is governed by the availability of the counter ion to the polypyrrole electrode and the amount of electroactive sites. Sensitivity analysis shows that the double layer effects have more influence in the cyclic voltammograms than the electrokinetic effects.
Modeling Lithium Intercalation In A Porous Carbon Electrode, Gerardine G. Botte, Ralph E. White
Modeling Lithium Intercalation In A Porous Carbon Electrode, Gerardine G. Botte, Ralph E. White
Ralph E. White
No abstract provided.
Electrochemical Investigations Of Cobalt-Doped Limn2O4 As Cathode Material For Lithium-Ion Batteries, P. Arora, Branko Popov, Ralph E. White
Electrochemical Investigations Of Cobalt-Doped Limn2O4 As Cathode Material For Lithium-Ion Batteries, P. Arora, Branko Popov, Ralph E. White
Ralph E. White
A wide range (y = 0.05–0.33) of Co-doped LiCoyMn2–yO4 spinels were synthesized and electrochemically characterized. These Co-doped spinels showed improved specific capacity and capacity retention over pure spinels. Electrochemical impedance spectroscopy and the linear polarization resistance technique were used to determine the transport and electrochemical kinetic parameters of Co-doped spinels. The presence of Co in the spinel inhibits the passivation process occurring on the surface of the cathode. Also, Co increases the exchange current density and facilitates the charge-transfer reaction of the active material. The lower self-discharge observed for Co-doped spinels was attributed …
Mathematical Modeling Of A Nickel-Cadmium Battery: Effects Of Intercalation And Oxygen Reactions, Deyuan Fan, Ralph E. White
Mathematical Modeling Of A Nickel-Cadmium Battery: Effects Of Intercalation And Oxygen Reactions, Deyuan Fan, Ralph E. White
Ralph E. White
Extensions are presented for a previously published (1) mathematical model of a nickel-cadmium (Ni-Cd) cell. These extensions consist of intercalation thermodynamics for the nickel electrode and oxygen generation and reduction reactions during charge and overcharge. The simulated results indicate that intercalation may be important in the nickel electrode and that including the oxygen reactions provides a means of predicting the efficiency of the cell on charge and discharge.
A Mathematical Model For The Initial Corrosion Rate Of A Porous Layer On A Rotating Disk Electrode, William E. Ryan, Ralph E. White, S. L. Kelly
A Mathematical Model For The Initial Corrosion Rate Of A Porous Layer On A Rotating Disk Electrode, William E. Ryan, Ralph E. White, S. L. Kelly
Ralph E. White
A mathematical model is presented for the initial corrosion rate of a porous layer on a rotating disk electrode. The model is used to predict the corrosion potential and corrosion current density for a porous electrode made of pure iron in aerated caustic solutions. The dependence of these predictions on some of the properties of the porous layer is presented. It is shown that the corrosion rate depends significantly on the specific surface area of the porous electrode.
Estimation Of Electrode Kinetic Parameters Of The Lithium/Thionyl Chloride Cell Using A Mathematical Model, T. I. Evans, Ralph E. White
Estimation Of Electrode Kinetic Parameters Of The Lithium/Thionyl Chloride Cell Using A Mathematical Model, T. I. Evans, Ralph E. White
Ralph E. White
A one-dimensional mathematical model for the lithium/thionyl chloride primary cell is used in conjunction with a parameter estimation technique, in order to estimate the electrode kinetic parameters of this electrochemical system. The electrode kinetic parameters include the anodic transfer coefficient and exchange current density of the lithium oxidation, a,1 and i0,1,ref; the cathodic transfer coefficient and the effective exchange current density of the thionyl chloride reduction, c,4 and a0i0,4,ref, and a morphology parameter, . The parameter estimation is performed on simulated data first in order to gain confidence in the method. Data reported in the literature for a high-rate discharge …
Anomalous Codeposition Of Fe-Ni Alloys And Fe-Ni-Sio2 Composites Under Potentiostatic Conditions, M. Ramasubramanian, S. N. Popova, Branko N. Popov, Ralph E. White, K. M. Yin
Anomalous Codeposition Of Fe-Ni Alloys And Fe-Ni-Sio2 Composites Under Potentiostatic Conditions, M. Ramasubramanian, S. N. Popova, Branko N. Popov, Ralph E. White, K. M. Yin
Ralph E. White
A mathematical model has been developed to describe the electrodeposition of Fe-Ni alloys and Fe-Ni-SiO2 composites under potentiostatic conditions. This model can be used to predict the polarization behavior, partial current densities, and alloy composition of each of the components as a function of the applied potential. Fe-Ni-SiO2 samples were deposited on platinum rotating disk electrodes from sulfate electrolytes under potentiostatic conditions, and the results obtained were compared to the model. The model predictions were found to agree well with the experimental observations for the Fe-Ni and Fe-Ni-SiO2 systems.
A Mathematical Model Of The Self-Discharge Of A Ni-H2 Battery, Z. Mao, Ralph E. White
A Mathematical Model Of The Self-Discharge Of A Ni-H2 Battery, Z. Mao, Ralph E. White
Ralph E. White
A simple mathematical model is presented and used to characterize the self-discharge of a nickel oxyhydroxide(NiOOH) electrode in a hydrogen environment. This model includes diffusion of dissolved hydrogen in an electrolyte film which covers a flooded electrode, electrochemical oxidation of hydrogen, reduction of nickel oxyhydroxide, and changes of surface area and of porosity of the electrode during the self-discharge process. Although the self-discharge process is complicated, the predictions of the model are consistent with experimental results reported in the literature, which include linear relationships between the logarithm of hydrogen pressure and time and between the logarithm of the capacity remaining …
Effect Of Ohmic, Mass-Transfer, And Kinetic Resistances On Linear-Sweep Voltammetry In A Cylindrical-Pore Electrode, John W. Weidner, Peter S. Fedkiw
Effect Of Ohmic, Mass-Transfer, And Kinetic Resistances On Linear-Sweep Voltammetry In A Cylindrical-Pore Electrode, John W. Weidner, Peter S. Fedkiw
John W Weidner
Extracting quantitative kinetic information from linear-sweep voltammograms (LSV) on porous electrodes is more difficult than on planar electrodes since the electrode surface is not uniformly accessible to the bulk supply of reactant or the counterelectrode. We present here a means to account for the effect of ohmic, mass-transfer, and kinetic resistances on LSV by modeling a pore in a porous matrix as a cylindrical-pore electrode, and solving the mass and charge conservation equations in the context of this geometry for the simply redox reaction O + ne– <=> R where both O and R are soluble species. Both analytical …
Theoretical Analysis For Obtaining Physical Properties Of Composite Electrodes, Parthasarathy M. Gomadam, John W. Weidner, Thomas A. Zawodzinski, Andrew P. Saab
Theoretical Analysis For Obtaining Physical Properties Of Composite Electrodes, Parthasarathy M. Gomadam, John W. Weidner, Thomas A. Zawodzinski, Andrew P. Saab
John W Weidner
A theoretical analysis is presented that allows in situ measurements of the physical properties of a composite electrode, namely, the electronic conductivity, the ionic conductivity, the exchange-current density, and the double-layer capacitance. Use is made of the current-voltage responses of the composite electrode to dc and ac polarizations under three different experimental configurations. This analysis allows the physical properties to be obtained even when the various resistances in the composite (e.g., ionic, electronic, and charge-transfer) are of comparable values.
Development Of A Novel Co Tolerant Proton Exchange Membrane Fuel Cell Anode, Andrew T. Haug, Ralph E. White, John W. Weidner, Wayne Huang
Development Of A Novel Co Tolerant Proton Exchange Membrane Fuel Cell Anode, Andrew T. Haug, Ralph E. White, John W. Weidner, Wayne Huang
John W Weidner
Typically Pt is alloyed with metals such as Ru, Sn, or Mo to provide a more CO-tolerant, high-performance proton exchange membrane fuel cell (PEMFC) anode. In this work, a layer of carbon-supported Ru is placed between the Pt catalyst and the anode flow field to form a filter. When oxygen is added to the fuel stream, it was predicted that the slow H2 kinetics of Ru in this filter would become an advantage compared to Pt and Pt:Ru alloy anodes, allowing a greater percentage of O2 to oxidize adsorbed CO to CO2. With an anode feed …
Single-Particle Model For A Lithium-Ion Cell: Thermal Behavior, Meng Guo, Godfrey Sikha, Ralph E. White
Single-Particle Model For A Lithium-Ion Cell: Thermal Behavior, Meng Guo, Godfrey Sikha, Ralph E. White
Faculty Publications
The single-particle model presented by Santhanagopalan et al. [ J. Power Sources , 156 , 620 (2006)] is extended to include an energy balance. The temperature dependence of the solid phase diffusion coefficient of the lithium in the intercalation particles, the electrochemical reaction rate constants, and the open circuit potentials (OCPs) of the positive and negative electrodes are included in the model. The solution phase polarization is approximated using a nonlinear resistance, which is a function of current and temperature. The model is used to predict the temperature and voltage profiles in a lithium-ion cell during galvanostatic operations. The single-particle …
Theoretical Analysis Of Stresses In A Lithium Ion Cell, Sindhuja Renganathan, Godfrey Sikha, Shriram Santhanagopalan, Ralph E. White
Theoretical Analysis Of Stresses In A Lithium Ion Cell, Sindhuja Renganathan, Godfrey Sikha, Shriram Santhanagopalan, Ralph E. White
Faculty Publications
A mathematical model to simulate the generation of mechanical stress during the discharge process in a dual porous insertion electrode cell sandwich comprised of lithium cobalt oxide and carbon is presented. The model attributes stress buildup within intercalation electrodes to two different aspects: changes in the lattice volume due to intercalation and phase transformation during the charge/discharge process. The model is used to predict the influence of cell design parameters such as thickness, porosity, and particle size of the electrodes on the magnitude of stress generation. The model developed in this study can be used to understand the mechanical degradation …
Sulfur Dioxide Crossover During The Production Of Hydrogen And Sulfuric Acid In A Pem Electrolyzer, John A. Staser, John W. Weidner
Sulfur Dioxide Crossover During The Production Of Hydrogen And Sulfuric Acid In A Pem Electrolyzer, John A. Staser, John W. Weidner
Faculty Publications
A proton exchange membrane (PEM) electrolyzer has been investigated as a viable system for the electrolysis step in the thermochemical conversion of sulfur dioxide to sulfuric acid for the large-scale production of hydrogen. Unfortunately, during operation, sulfur dioxide can diffuse from the anode to the cathode. This has several negative effects, including reduction to sulfur that could potentially damage the electrode, consumption of current that would otherwise be used for the production of hydrogen, introduction of oxygen and SO2 to the hydrogen stream, and loss of sulfur to the cycle. However, proper water management can reduce or eliminate the …
Modeling Of Electronic And Ionic Transport Resistances Within Lithium-Ion Battery Cathodes, David E. Stephenson
Modeling Of Electronic And Ionic Transport Resistances Within Lithium-Ion Battery Cathodes, David E. Stephenson
Theses and Dissertations
In this work, a mathematical model is reported and validated, which describes the performance of porous electrodes under low and high rates of discharge. This porous battery model can be used to provide researchers a better physical understanding relative to prior models of how cell morphology and materials affect performance due to improved accounting of how effective resistance change with morphology and materials. The increased understanding of cell resistances will enable improved design of cells for high-power applications, such as hybrid and plug-in-hybrid electric vehicles. It was found electronic and liquid-phase ionic transport resistances are strongly coupled to particle conductivity, …
Parameter Estimation And Life Modeling Of Lithium-Ion Cells, Shriram Santhanagopalan, Qi Zhang, Karthikeyan Kumaresan, Ralph E. White
Parameter Estimation And Life Modeling Of Lithium-Ion Cells, Shriram Santhanagopalan, Qi Zhang, Karthikeyan Kumaresan, Ralph E. White
Faculty Publications
Lithium-ion pouch cells were cycled at five different temperatures (5, 15, 25, 35, and 45°C ), and rate capability studies were performed after every hundred cycles. The data were used with a simple physics-based model to estimate parameters that capture the capacity fade in the cell, with cycling. The weight of active material within each electrode was estimated as a function of time, using rate capability data at the C/33 rate. The C-rate for these cells is 1.656 A. The capacity fade due to the loss of active material and that due to the loss of cyclable lithium …
Thermal Model For A Li-Ion Cell, Karthikeyan Kumaresan, Godfrey Sikha, Ralph E. White
Thermal Model For A Li-Ion Cell, Karthikeyan Kumaresan, Godfrey Sikha, Ralph E. White
Faculty Publications
A thermal model for a lithium-ion cell is presented and used to predict discharge performance at different operating temperatures. The results from the simulations are compared to experimental data obtained from lithium-ion pouch cells. The model includes a set of parameters (and their concentration and temperature dependencies) that has been obtained for a lithium-ion cell composed of a mesocarbon microbead anode, LiCoO2 cathode in 1 M LiPF6 salt, in a mixture of ethylene carbonate, propylene carbonate, ethyl-methyl carbonate, and diethyl carbonate electrolyte. The parameter set was obtained by comparing the model predictions to the experimental discharge profiles obtained …
Analytical Expression For The Impedance Response For A Lithium-Ion Cell, Godfrey Sikha, Ralph E. White
Analytical Expression For The Impedance Response For A Lithium-Ion Cell, Godfrey Sikha, Ralph E. White
Faculty Publications
An analytical expression to predict the impedance response of a dual insertion electrode cell (insertion electrodes separated by an ionically conducting membrane) is presented. The expression accounts for the reaction kinetics and double-layer adsorption processes at the electrode-electrolyte interface, transport of electroactive species in the electrolyte phase, and insertion of species in the solid phase of the insertion electrodes. The accuracy of the analytical expression is validated by comparing the impedance response predicted by the expression to the corresponding numerical solution. The analytical expression is used to predict the impedance response of a lithium-ion cell consisting of a porous LiCoO …
Hydrogen Peroxide Formation Rates In A Pemfc Anode And Cathode: Effect Of Humidity And Temperature, Vijay A. Sethuraman, John W. Weidner, Andrew T. Haug, Sathya Motupally, Lesia V. Protsailo
Hydrogen Peroxide Formation Rates In A Pemfc Anode And Cathode: Effect Of Humidity And Temperature, Vijay A. Sethuraman, John W. Weidner, Andrew T. Haug, Sathya Motupally, Lesia V. Protsailo
Faculty Publications
Hydrogen peroxide (H2O2) formation rates in a proton exchange membrane fuel cell (PEMFC) anode and cathode were estimated as a function of humidity and temperature by studying the oxygen reduction reaction (ORR) on a rotating ring disk electrode. Fuel cell conditions were replicated by depositing a film of Pt/Vulcan XC-72 catalyst onto the disk and by varying the temperature, dissolved O2 concentration, and the acidity levels in hydrochloric acid (HClO4). The HClO4 acidity was correlated to ionomer water activity and hence fuel cell humidity. The H2O2 formation rates showed …
Durability Of Perfluorosulfonic Acid And Hydrocarbon Membranes: Effect Of Humidity And Temperature, Vijay A. Sethuraman, John W. Weidner, Andrew T. Haug, Lesia V. Protsailo
Durability Of Perfluorosulfonic Acid And Hydrocarbon Membranes: Effect Of Humidity And Temperature, Vijay A. Sethuraman, John W. Weidner, Andrew T. Haug, Lesia V. Protsailo
Faculty Publications
The effect of humidity on the chemical stability of two types of membranes [i.e., perfluorosulfonic acid type (PFSA, Nafion 112) and biphenyl sulfone hydrocarbon type, (BPSH-35)] was studied by subjecting the membrane electrode assemblies (MEAs) to open-circuit voltage (OCV) decay and potential cycling tests at elevated temperatures and low inlet-gas relative humidities. The BPSH-35 membranes showed poor chemical stability in ex situ Fenton tests compared to that of Nafion membranes. However, under fuel cell conditions, BPSH-35 MEAs outperformed Nafion 112 MEAs in both the OCV decay and potential cycling tests. For both membranes, (i) at a given temperature, …
Simulation Of Polarization Curves For Oxygen Reduction Reaction In 0.5 M H2So4 At A Rotating Ring Disk Electrode, Qingbo Dong, Shriram Santhanagopalan, Ralph E. White
Simulation Of Polarization Curves For Oxygen Reduction Reaction In 0.5 M H2So4 At A Rotating Ring Disk Electrode, Qingbo Dong, Shriram Santhanagopalan, Ralph E. White
Faculty Publications
A cylindrical two-dimensional model based on the Nernst–Planck equations, the Navier–Stokes equation, and the continuity equation is used to simulate the oxygen reduction reaction in 0.5MH2SO4 at a rotating ring disk electrode. Concentration distributions and a potential profile are obtained as a function of the axial and radial distances from the center of the electrode surface. Polarization curves are simulated to interpret experimental results by studying various reaction mechanisms, i.e., the four-electron-transfer reduction of oxygen, the two-electron-transfer reduction of oxygen, a combination of the above two reactions, mechanisms with reduction of peroxide to water, and/or the heterogeneous …