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Investigation Of Iron Oxide Nanocolloidal Suspension Diffusion Using A Direct Imaging Method, Ashley E. Rice, Ana Oprisan
Investigation Of Iron Oxide Nanocolloidal Suspension Diffusion Using A Direct Imaging Method, Ashley E. Rice, Ana Oprisan
Journal of the South Carolina Academy of Science
We performed a set of experiments using a direct imaging method to investigate the diffusion process of iron oxide, Fe2O3, nanoparticles. We studied concentration fluctuations that move against the concentration gradient and induce disturbances in the interface between the iron oxide suspension and water in the sample cell. Using this imaging method in combination with the differential dynamic algorithm for image processing, we are able to extract information about the power, size, and lifetime of the fluctuations. We performed this experiment both in the presence and in the absence of a 4.2 mT magnetic field. We …
Volume Swing Frequency Response Method For Determining Mass Transfer Mechanisms In Microporous Adsorbents, Mohammad Iftekhar Hossain
Volume Swing Frequency Response Method For Determining Mass Transfer Mechanisms In Microporous Adsorbents, Mohammad Iftekhar Hossain
Theses and Dissertations
Because of their numerous important applications in industrial catalytic, separation, and purification processes, miroporous materials have attracted considerable attention. Understanding the dynamic behavior of various gases in these porous materials is a critical step in designing, developing and effective operation of such kind of industrial processes. Frequency response (FR) methods have proven to be one of the best recently developed techniques and have been widely used to investigate kinetics behavior of various gas-solid systems due to their ability to discriminate among different rate limiting mechanisms. The current work has been focusing on the development of a volume swing frequency response …
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 …
Reduction Of Model Order Based On Proper Orthogonal Decomposition For Lithium-Ion Battery Simulations, Long Cai, Ralph E. White
Reduction Of Model Order Based On Proper Orthogonal Decomposition For Lithium-Ion Battery Simulations, Long Cai, Ralph E. White
Faculty Publications
A reduced-order model (ROM) is developed using proper orthogonal decomposition (POD) for a physics-based lithium-ion battery model. The methodology to obtain the proper orthogonal modes and to analyze their optimality is included. The POD-based ROM for a lithium-ion battery is used to simulate a charge/discharge process and the behavior of a battery pack. Compared to the physics-based model, the computational time to solve the ROM is significantly less, and the two models show excellent agreement.
Analytical Expression For The Impedance Response Of An Insertion Electrode Cell, Godfrey Sikha, Ralph E. White
Analytical Expression For The Impedance Response Of An Insertion Electrode Cell, Godfrey Sikha, Ralph E. White
Faculty Publications
An analytical expression for the impedance response of an insertion cathode/separator/foil anode cell sandwich is presented. The analytical expression includes the impedance contributions from interfacial kinetics, double-layer adsorption, and solution-phase and solid-phase diffusion processes. The validity of the analytical solution is ascertained by comparison with the numerical solution obtained for a LiCoO2 /polypropylene/lithium metal cell. The flexibility of the analytical solution is utilized to analyze various limiting conditions. An expression to estimate solid-phase diffusion coefficient of insertion species in a porous electrode influenced by the solution-phase diffusion process is also derived
Short-Time Transient Analysis Of Intercalation Of An Ion Into A Sphere, Sheba Devan, Ralph E. White
Short-Time Transient Analysis Of Intercalation Of An Ion Into A Sphere, Sheba Devan, Ralph E. White
Faculty Publications
A short-time transient analysis is presented for a sinusoidal input potential for a spherical particle. The objective of this work was to extract accurate values of the parameters associated with an intercalation into a spherical particle. These parameters are exchange current density, double-layer capacitance, and diffusion coefficient. The effects of these parameters on the response were examined using a sensitivity analysis, which indicated that optimum frequency values of the input perturbation exist for estimation of these parameters. A procedure is presented to obtain all these parameters using the short-time response. The results show that the short-time analysis is a useful …
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.
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 …
Water Transport In Polymer Electrolyte Membrane Electrolyzers Used To Recycle Anhydrous Hcl: I. Characterization Of Diffusion And Electro-Osmotic Drag, Sathya Motupally, Aaron J. Becker, John W. Weidner
Water Transport In Polymer Electrolyte Membrane Electrolyzers Used To Recycle Anhydrous Hcl: I. Characterization Of Diffusion And Electro-Osmotic Drag, Sathya Motupally, Aaron J. Becker, John W. Weidner
Faculty Publications
In this paper, diffusion and electro-osmotic drag of water across Nafion® membranes in the presence of HCl are characterized. For all the measurements, one side of the Nafion membrane was in contact with liquid water and the other side with gaseous anhydrous HCl. To characterize diffusion of water, the open-circuit flux of water across a catalyst-coated Nafion 115 membrane was measured as a function of HCl flow rate and temperature at a constant cell pressure of 1 atm. Due to the nature of varying driving force for diffusion as a function of HCl flow rate, the experimental data was analyzed …
Estimation Of Diffusion Coefficient Of Lithium In Carbon Using Ac Impedance Technique, Qingzhi Guo, Venkat R. Subramanian, John W. Weidner, Ralph E. White
Estimation Of Diffusion Coefficient Of Lithium In Carbon Using Ac Impedance Technique, Qingzhi Guo, Venkat R. Subramanian, John W. Weidner, Ralph E. White
Faculty Publications
The validity of estimating the solid phase diffusion coefficient, Ds, of a lithium intercalation electrode from impedance measurement by a modified electrochemical impedance spectroscopy (EIS) method is studied. A macroscopic porous electrode model and concentrated electrolyte theory are used to simulate the synthetic impedance data. The modified EIS method is applied for estimating Ds. The influence of parameters such as the exchange current density, radius of active material particle, solid phase conductivity, porosity, volume fraction of inert material, and thickness of the porous carbon intercalation electrode, the solution phase diffusion coefficient, and transference number, on the …
Approximate Solutions For Galvanostatic Discharge Of Spherical Particles I. Constant Diffusion Coefficient, Venkat R. Subramanian, James A. Ritter, Ralph E. White
Approximate Solutions For Galvanostatic Discharge Of Spherical Particles I. Constant Diffusion Coefficient, Venkat R. Subramanian, James A. Ritter, Ralph E. White
Faculty Publications
Approximate models are developed, based on second, fourth, and sixth order polynomials, that describe the concentration profile of an electrochemically active species in a spherical electrode particle. Analytical expressions are obtained that describe the way the concentration profiles, surface concentrations, and electrode utilization change during the galvanostatic discharge of an electrode particle. Based on a comparison with an exact analytical model over a wide range of dimensionless current densities, all three approximate models performed extremely well in predicting these quantities. Quantitative criterion for the validity of these models is also developed and shows that the sixth order, four parameter approximate …
Diffusion Of Water In Nafion 115 Membranes, Sathya Motupally, Aaron J. Becker, John W. Weidner
Diffusion Of Water In Nafion 115 Membranes, Sathya Motupally, Aaron J. Becker, John W. Weidner
Faculty Publications
In this paper, experimental and simulated data for the diffusion of water across Nafion membranes as a function of the water activity gradient are presented. The gradient in the activity of water across the membrane was varied by changing the flow rate and pressure of nitrogen gas on one side of the membrane. The other side of the membrane was equilibrated with liquid water. It was found that the model predictions are very sensitive to the value of the diffusion coefficient of water in Nafion. Using the Fickian diffusion coefficient extracted from self-diffusion measurements reported in the literature, the 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 ). …
Proton Diffusion In Nickel Hydroxide: Prediction Of Active Material Utilization, Sathya Motupally, Christopher C. Streinz, John W. Weidner
Proton Diffusion In Nickel Hydroxide: Prediction Of Active Material Utilization, Sathya Motupally, Christopher C. Streinz, John W. Weidner
Faculty Publications
Galvanostatic charge and discharge experiments reveal that the active material in nickel electrodes cannot be fully accessed at high currents or for thick films. It has been proposed that the utilization of the active material is controlled by the diffusion rate of protons through the film. This hypothesis is supported by the good agreement between mathematical simulations of material utilization and experimental data over a range of charge and discharge currents and film thicknesses. Furthermore, the fraction of material utilized is larger on charge than on discharge. The asymmetry on charge and discharge is due to a diffusion coefficient that …
Determination Of Transport And Electrochemical Kinetic Parameters Of Bare And Copper-Coated Lani4.27Sn0.24 Electrodes In Alkaline Solution, G. Zheng, Branko N. Popov, Ralph E. White
Determination Of Transport And Electrochemical Kinetic Parameters Of Bare And Copper-Coated Lani4.27Sn0.24 Electrodes In Alkaline Solution, G. Zheng, Branko N. Popov, Ralph E. White
Faculty Publications
Electrochemical properties of bare and copper-coated LaNi4.27Sn0.24 electrodes were investigated in alkaline solution. The exchange current density, polarization resistance, and equilibrium potential were determined as functions of the state of charge in the electrodes. The symmetry factors for bare and copper-coated electrodes were estimated to be 0.53 and 0.52, respectively. By using a constant current discharge technique, the hydrogen diffusion coefficient in bare and coated LaNi4.27Sn0.24 was estimated to be 6.75 × 10–11 cm2/s.
Proton Diffusion In Nickel Hydroxide Films: Measurement Of The Diffusion Coefficient As A Function Of State Of Charge, Sathya Motupally, Christopher C. Streinz, John W. Weidner
Proton Diffusion In Nickel Hydroxide Films: Measurement Of The Diffusion Coefficient As A Function Of State Of Charge, Sathya Motupally, Christopher C. Streinz, John W. Weidner
Faculty Publications
Electrochemical impedance spectroscopy (EIS) was used to measure the solid-state diffusion coefficient of protons in nickel hydroxide films at room temperature as a function of state of charge (SOC). A model for the complex faradaic impedance of the nickel hydroxide active material is presented and used to extract the diffusion coefficient of protons from the EIS data. Impedance data over a range of frequencies can be used to extract a constant diffusion coefficient without the knowledge of the initial mobile proton concentration or the form of the charge-transfer kinetic expression. The proton diffusion coefficient is a strong function of SOC …
Electrochemical Determination Of The Diffusion Coefficient Of Hydrogen Through An Lani4.25Al0.75 Electrode In Alkaline Aqueous Solution, G. Zheng, Branko N. Popov, Ralph E. White
Electrochemical Determination Of The Diffusion Coefficient Of Hydrogen Through An Lani4.25Al0.75 Electrode In Alkaline Aqueous Solution, G. Zheng, Branko N. Popov, Ralph E. White
Faculty Publications
The constant potential and constant current discharge techniques were used to determine the hydrogen diffusion coefficients in an LaNi4.25Al0.75 electrode. The values obtained were 2.97 × 10–11 and 3.30 × 10–11 cm2/s, respectively. The advantages and disadvantages of these two techniques are discussed.
Electrochemical Determination Of The Diffusion Coefficient Of Hydrogen Through An Lani4.25Al0.75 Electrode In Alkaline Aqueous Solution, G. Zheng, Branko N. Popov, Ralph E. White
Electrochemical Determination Of The Diffusion Coefficient Of Hydrogen Through An Lani4.25Al0.75 Electrode In Alkaline Aqueous Solution, G. Zheng, Branko N. Popov, Ralph E. White
Faculty Publications
The constant potential and constant current discharge techniques were used to determine the hydrogen diffusion coefficients in an LaNi4.25Al0.75 electrode. The values obtained were 2.97 × 10–11 and 3.30 × 10–11 cm2/s, respectively. The advantages and disadvantages of these two techniques are discussed.
Effect Of Proton Diffusion, Electron Conductivity, And Charge-Transfer Resistance On Nickel Hydroxide Discharge Curves, John W. Weidner, Paul Timmerman
Effect Of Proton Diffusion, Electron Conductivity, And Charge-Transfer Resistance On Nickel Hydroxide Discharge Curves, John W. Weidner, Paul Timmerman
Faculty Publications
Constant-current discharge curves for the nickel hydroxide electrode are simulated assuming resistances due to diffusion of protons and conduction of electrons through the nickel hydroxide film, and charge-transfer resistance at the film/electrolyte interface contribute to the polarization losses of the electrode. Good qualitative agreement is observed between the model predictions and experimental discharge curves. The results suggest that polarization losses due to diffusional limitations of protons is a critical factor in determining the characteristics of the discharge curve. Ohmic resistance has a significant effect on the discharge curves at the end of discharge, and charge-transfer resistance is a minor contributor …
Using Electrochemical Impedance Spectroscopy As A Tool For Organic Coating Solute Saturation Monitoring, Branko N. Popov, Mohammed A. Alwohaibi, Ralph E. White
Using Electrochemical Impedance Spectroscopy As A Tool For Organic Coating Solute Saturation Monitoring, Branko N. Popov, Mohammed A. Alwohaibi, Ralph E. White
Faculty Publications
Electrochemical impedance spectroscopy (EIS) has been used to study the solute uptake for epoxy/phenolic (E/p) andepoxy/amine (E/a) thick-coated mild steel samples immersed for 160 days in 3.5 weight percent NaCl solution exposed to air. Samples with thicknesses of approximately 200 µm with an exposed surface area of 22.6 cm2 were used to follow solute saturation of the organic coating. Good agreement was obtained between the calculated and measured coating capacitance when, according to the diffusion equation, the coating capacitance was plotted against exposure time.
Hydrogen Diffusion, Solubility, And Water Uptake In Dow's Short-Side-Chain Perfluorocarbon Membranes, Yu-Min Tsou, M. C. Kimble, Ralph E. White
Hydrogen Diffusion, Solubility, And Water Uptake In Dow's Short-Side-Chain Perfluorocarbon Membranes, Yu-Min Tsou, M. C. Kimble, Ralph E. White
Faculty Publications
Hydrogen gas diffusion coefficients and solubilities as well as water uptake values are reported for Dow's short-side-chain perfluoro-sulfonic and -carboxylic membranes of different equivalent weight (EW). The diffusion coefficients and solubilities were determined with an electrochemical test cell. Hydrogen solubility decreases with increasing EW in the lower EW range and tends to level off at higher EWs for both types of membranes. Both hydrogen solubility and diffusion coefficients of a sulfonic membrane with EW higher than 800 are higher than the corresponding values of a carboxylic membrane of similar EW. An unusual maximum is observed in the diffusion coefficient-EW plot …
Estimation Of The Diffusion Coefficient And Solubility For A Gas Diffusing Through A Membrane, Michael C. Kimble, Ralph E. White, Yu-Min Tsou, R. Neal Beaver
Estimation Of The Diffusion Coefficient And Solubility For A Gas Diffusing Through A Membrane, Michael C. Kimble, Ralph E. White, Yu-Min Tsou, R. Neal Beaver
Faculty Publications
Analysis of the data obtained by the electrochemical monitoring technique for diffusion of a gas through a membrane is considered. It is shown that combining a numerical method with a nonlinear parameter estimation technique provides a means to determine values for the diffusion coefficient and the solubility of the diffusing gas. It is shown that better accuracy can be obtained for the diffusion coefficient and solubility of this gas by using the method presented and all experimental data rather than only part of the data, as has often been done in the past.
Electrodeposition Of Copper-Nickel Alloys From Citrate Solutions On A Rotating Disk Electrode, Ramona Y. Ying, Patrick K. Ng, Z. Mao, Ralph E. White
Electrodeposition Of Copper-Nickel Alloys From Citrate Solutions On A Rotating Disk Electrode, Ramona Y. Ying, Patrick K. Ng, Z. Mao, Ralph E. White
Faculty Publications
A mathematical model is developed to simulate the electrodeposition of Cu-Ni alloy from citrate solutions onto a rotating disk electrode under potentiostatic control. The model includes the influence of diffusion, ionic migration, forced convection, and homogeneous equilibria. The three major electrochemical reactions treated in the model are copper deposition, nickel deposition, and hydrogen evolution. Using experimental parameters when available, the model was fitted and tested against experimentally-obtained results for different bath compositions and operating conditions. The model agreed reasonably well with the experimental results particularly in the codeposition region, –1.0 to –1.2V vs. SCE, where hydrogen evolution is not the …
Hard-Sphere Theory For Correlation Of Tracer Diffusion Of Gases And Liquids In Alkanes, Michael A. Matthews, Aydin Akgerman
Hard-Sphere Theory For Correlation Of Tracer Diffusion Of Gases And Liquids In Alkanes, Michael A. Matthews, Aydin Akgerman
Faculty Publications
No abstract provided.
Utility Of An Empirical Method Of Modeling Combined Zero Gap/Attached Electrode Membrane Chlor-Alkali Cells, Clifford W. Walton, Ralph E. White
Utility Of An Empirical Method Of Modeling Combined Zero Gap/Attached Electrode Membrane Chlor-Alkali Cells, Clifford W. Walton, Ralph E. White
Faculty Publications
An extensive survey of the Docktor-Ingenieur Dissertationen of Jakob Jörissen and Klaus-R. Menschig, both originally from the Universität Dortmund, is presented in regard to the empirical modeling of membrane chlor-alkali cells and how it can be applied to a combined zero gap/attached porous electrode layer membrane cell. Particular emphasis isplaced on Menschig's work on zero gap (ZG) and attached porous electrode layer (APEL) membrane chlor-alkali cells, the first such research to appear in the open literature. Menschig developed various computer programs to characterize these ZG and APEL membrane chlor-alkali cells. He characterized these cells by using the following parameters: the …
Evidence For Amphoteric Behavior Of Ru On Cdte Surfaces, D. N. Bose, S. Basu, K. C. Mandal, D. Mazumdar
Evidence For Amphoteric Behavior Of Ru On Cdte Surfaces, D. N. Bose, S. Basu, K. C. Mandal, D. Mazumdar
Faculty Publications
No abstract provided.
A Mathematical Model For A Parallel Plate Electrochemical Reactor, Cstr, And Associated Recirculation System, T V. Nguyen, C W. Walton, Ralph E. White
A Mathematical Model For A Parallel Plate Electrochemical Reactor, Cstr, And Associated Recirculation System, T V. Nguyen, C W. Walton, Ralph E. White
Faculty Publications
A mathematical model is presented for a system comprised of a parallel plate electrochemical reactor (PPER) and a continuous, stirred-tank reactor (CSTR) under both total and partial recycle. The model is used to predict the time dependent behavior of the electrowinning of copper from an aqueous, hydrochloric acid solution. The model includes many important aspects of a PPER/CSTR system which have been neglected previously. These aspects are the kinetics of electrode reactions, the electroneutrality condition, three mass transfer processes for ionic species in the electrolyte (diffusion, ionic migration, and convection) and the electrode gap in the PPER, and the inclusion …