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Articles 1 - 30 of 567
Full-Text Articles in Chemical Engineering
Understanding The Binding Of Nickel(Ii) Bromide To A Zirconium Metal-Organic Cage For Heterogeneous Catalysis, Luci Green
Caroliniana Undergraduate Research Journal
Heterogeneous catalysts offer inherent advantages in improving the sustainability of industrial chemical processes. Their high ease of separation and recyclability has the potential to reduce the cost, waste, and energy consumption of processes that currently rely on homogeneous catalysts. Metal–organic cages (MOCs) are an attractive material for heterogeneous catalysis due to their discrete and highly tunable structures, which can be functionalized by binding these complexes with catalytically active metals. The specific objective of this study is to provide preliminary insight into the binding of nickel(II) bromide (NiBr2) to zirconium MOCs, which was done by studying the binding of …
Beyond Catalysts And Membranes: Using Cell Assembly And Operating Strategies To Significantly Improve The Performance Of Aem Electrolyzers, Mahmoud Amirsalehi, Venkata Sai Sriram Mosali, Mohammed Al-Murisi, Shaghayegh Bashiri, Hari Gopi, Pongsarun Satjaritanun, Benjamin Britton, Karen Swider-Lyons, Mustain E. William
Beyond Catalysts And Membranes: Using Cell Assembly And Operating Strategies To Significantly Improve The Performance Of Aem Electrolyzers, Mahmoud Amirsalehi, Venkata Sai Sriram Mosali, Mohammed Al-Murisi, Shaghayegh Bashiri, Hari Gopi, Pongsarun Satjaritanun, Benjamin Britton, Karen Swider-Lyons, Mustain E. William
Faculty Publications
Green hydrogen, produced through water electrolysis, is a key enabler of a low-carbon energy future, and anion exchange membrane electrolyzers (AEMELs) have emerged as a promising technology due to their potential for ultra-low-cost operation. However, achieving low cell voltage at high current densities and maintaining long-term durability remain key AEMEL challenges. To address these issues, most research efforts to date have focused on developing advanced catalysts and membranes. In contrast, the influence of non-material factors, such as cell assembly parameters and operating conditions, remains underexplored, even though they can significantly impact performance. This study investigates how such variables affect AEMEL …
Mechanistic Roles And Design Criteria For Catalysts In Lithium–Sulfur Batteries, Saheed Lateef, Golareh Jalilvand
Mechanistic Roles And Design Criteria For Catalysts In Lithium–Sulfur Batteries, Saheed Lateef, Golareh Jalilvand
Faculty Publications
Catalysis is widely explored in lithium–sulfur (Li–S) batteries to address challenges related to limited capacity and cycle durability. Despite extensive research, catalyst development has often focused on materials without a clear understanding of the mechanistic landscape underlying the complex, multi-step, multi-electron sulfur redox pathway. In fact, our understanding of the thermodynamic, kinetic, and mass transport framework in Li–S systems is still evolving, particularly with respect to the reaction pathways during charge and discharge, and the dynamic evolution of materials in both liquid and solid phases. These evolving insights may fundamentally shift the requirements for catalyst design and future research priorities. …
Degrees Of Rate Control And Autodiff-Driven Direct Sensitivity Analysis In Heterogeneous Catalysis, Olajide H. Bamidele, Sina Behtash, Mubarak Bello, Andreas Heyden
Degrees Of Rate Control And Autodiff-Driven Direct Sensitivity Analysis In Heterogeneous Catalysis, Olajide H. Bamidele, Sina Behtash, Mubarak Bello, Andreas Heyden
Faculty Publications
Despite the wide application and benefits of the degree of rate control (DRC) analysis, several details remain argued, particularly about the conservation of DRCs at transient (TR) and steady-state (SS) conditions, especially for complex reaction networks. This work argues that previous proofs about the conservation properties of DRCs have been incomplete, and we provide new mathematical proofs at TR and SS conditions. In addition, we use both analytical (automatic differentiation) and numerical (finite difference) approaches to compute DRCs for the case study of ethane hydrogenolysis (EH) over Pt(111). This work confirms that at both TR and SS conditions, the sum …
Electrode Engineering To Minimize Degradation In Lithium-Sulfur Batteries, Saheed Adewale Lateef
Electrode Engineering To Minimize Degradation In Lithium-Sulfur Batteries, Saheed Adewale Lateef
Theses and Dissertations
Lithium-Sulfur (Li-S) batteries have recently received significant attention as a potential candidate for next-generation energy storage technology. This is due to its high theoretical capacity (1675 mAh/g) which can provide theoretical energy density of 2500 Wh/kg as compared to 400 Wh/kg of the current Lithium-ion batteries. Moreover, the earth-abundant sulfur element as well as its environmental friendliness endows unique advantages on the cost and environmental impact. However, there are several roadblocks that need to be addressed for commercial adoption of Li-S batteries, such as: (i) poor conductivity of sulfur and its discharged product; (ii) solubility of lithium polysulfides and their …
Towards Accurate First-Principles Modeling In Heterogenous Catalysis: Ethane Dehydrogenation And Hydrogenolysis Over Pt Catalysts, Mubarak Ayo Bello
Towards Accurate First-Principles Modeling In Heterogenous Catalysis: Ethane Dehydrogenation And Hydrogenolysis Over Pt Catalysts, Mubarak Ayo Bello
Theses and Dissertations
First-principles modeling has become central to heterogeneous catalysis research, offering mechanistic insight and guiding catalyst design, yet conventional approaches often struggle to accurately describe complex catalytic systems due to methodological uncertainties, simplified assumptions, and the structural diversity of nanoparticle catalysts. This dissertation addresses these challenges using ethane dehydrogenation (EDH) and hydrogenolysis (EH) over platinum catalysts as model systems. The first study benchmarks density functional theory (DFT) functionals against the random phase approximation (RPA) for the EDH network on Pt(111), identifying cost-effective functionals and demonstrating the efficiency of BEEF-vdW ensembles for capturing functional uncertainty. The second study (addressed in prior work) …
Performance Limiting Factors For Silicon Anodes In Lithium-Ion Batteries, Najmaddin Bashirzada
Performance Limiting Factors For Silicon Anodes In Lithium-Ion Batteries, Najmaddin Bashirzada
Theses and Dissertations
The rising global demand for high-performance and sustainable energy storage solutions has placed lithium-ion batteries (LIBs) at the forefront of technological progress. However, the energy density limits of traditional graphite anodes require the investigation of alternative materials. Silicon (Si), with its high theoretical capacity, is a promising anode material. Still, its practical use faces major challenges such as volumetric expansion, unstable solid electrolyte interphase (SEI) formation, and low conductivity. This thesis examines the electrochemical behavior and limitations of Si-based electrodes using coin cells and ex-situ three-electrode cells. A comparison of electrochemical testing methods – i.e., Galvanostatic Intermittent Titration Technique (GITT) …
Towards Accurate First-Principles Modeling In Heterogenous Catalysis: Ethane Dehydrogenation And Hydrogenolysis Over Pt Catalysts, Mubarak Ayo Bello
Towards Accurate First-Principles Modeling In Heterogenous Catalysis: Ethane Dehydrogenation And Hydrogenolysis Over Pt Catalysts, Mubarak Ayo Bello
Theses and Dissertations
First-principles modeling has become central to heterogeneous catalysis research, offering mechanistic insight and guiding catalyst design, yet conventional approaches often struggle to accurately describe complex catalytic systems due to methodological uncertainties, simplified assumptions, and the structural diversity of nanoparticle catalysts. This dissertation addresses these challenges using ethane dehydrogenation (EDH) and hydrogenolysis (EH) over platinum catalysts as model systems. The first study benchmarks density functional theory (DFT) functionals against the random phase approximation (RPA) for the EDH network on Pt(111), identifying cost-effective functionals and demonstrating the efficiency of BEEF-vdW ensembles for capturing functional uncertainty. The second study (addressed in prior work) …
Fluorinated Electrolytes For Lithium–Sulfur And Beyond-Lithium Metal–Sulfur Batteries, Avinash Raulo, Saheed Lateef, Hunter Mcray, Kaushek Rahul Ilancheran, Fabio Albano, Golareh Jalilvand
Fluorinated Electrolytes For Lithium–Sulfur And Beyond-Lithium Metal–Sulfur Batteries, Avinash Raulo, Saheed Lateef, Hunter Mcray, Kaushek Rahul Ilancheran, Fabio Albano, Golareh Jalilvand
Faculty Publications
Metal–sulfur batteries, particularly lithium–sulfur (Li–S) systems, have attracted significant attention due to their high theoretical energy densities, low cost, and sustainability benefits arising from sulfur’s abundance and non-toxicity. Despite extensive research, their practical deployment remains limited by persistent challenges such as polysulfide shuttling and metal anode degradation, which collectively lead to poor coulombic efficiency and limited cycle life. These issues are further intensified in emerging systems employing sodium, potassium, magnesium, calcium, and siliconbased anodes. Fluorinated electrolytes have emerged as a promising approach to address these limitations. Fluorination enhances oxidative stability, suppresses polysulfide dissolution, promotes stable solid–electrolyte interphase (SEI) formation, and …
Exploring Different Metal-Oxide Cathode Materials For Structural Lithium-Ion Batteries Using Dip-Coating, David Petrushenko, Thomas Burns, Paul Ziehl, Ralph E. White, Paul T. Coman
Exploring Different Metal-Oxide Cathode Materials For Structural Lithium-Ion Batteries Using Dip-Coating, David Petrushenko, Thomas Burns, Paul Ziehl, Ralph E. White, Paul T. Coman
Faculty Publications
In this study, a selection of active materials were coated onto commercially available intermediate modulus carbon fibers to form and analyze the performance of novel composite cathodes for structural power composites. Various slurries containing polyvinylidene fluoride (PVDF), active material powders, 1-methyl-2-pyrrolidone (NMP) and carbon black (CB) were used to coat carbon fiber tows by immersion. Four active materials—lithium cobalt oxide (LCO), lithium iron phosphate (LFP), lithium nickel manganese cobalt oxide (NMC), and lithium nickel cobalt aluminum oxide (NCA)—were individually tested to assess their electrochemical reversibility. The cells were prepared with a polymer separator and liquid electrolytes and assembled in 2025-coin …
Curved Confinement Directs Anchoring-Mediated Structural Transitions In Highly Chiral Liquid Crystal Shells, Sepideh Norouzi, Jeremy Money, Stiven Villada-Gil, José Martínez-Gonález, Monirosadat Sadati
Curved Confinement Directs Anchoring-Mediated Structural Transitions In Highly Chiral Liquid Crystal Shells, Sepideh Norouzi, Jeremy Money, Stiven Villada-Gil, José Martínez-Gonález, Monirosadat Sadati
Faculty Publications
Cholesteric liquid crystals (CLCs) confined in curved geometries exhibit a rich spectrum of defectmediated morphologies governed by the interplay between chirality, curvature, surface anchoring, and confinement. This study systematically investigates structural transitions in highly chiral CLC shells under asymmetric anchoring conditions, focusing on the effects of shell thickness and curvature on pitch axis reorientation and defect formation. Utilizing microfluidic techniques, we generate core–shell droplets with independently tunable anchoring at inner and outer aqueous interfaces. Transitioning from planar–planar to planar-homeotropic boundary conditions via surfactant-mediated modulation induces profound reorganizations in the director field, giving rise to focal conic domains (FCDs), stripe patterns, …
Modeling The Influence Of Silicon Content On Electrochemical Performance Of Silicon-Graphite Blended Electrodes Considering Voltage Hysteresis, Mohamed Atwair, Paul T. Coman, Ralph E. White
Modeling The Influence Of Silicon Content On Electrochemical Performance Of Silicon-Graphite Blended Electrodes Considering Voltage Hysteresis, Mohamed Atwair, Paul T. Coman, Ralph E. White
Faculty Publications
Silicon, with its high specific capacity, is a highly promising material for lithium-ion battery anodes. To enhance durability, it is commonly combined with graphite in composite anodes. Despite this, the electrochemical dynamics between silicon and graphite are not yet fully understood. Modeling serves as an important tool for analyzing and improving batteries, but current models lack comprehensive representation of the coupled electrochemical and structural behavior of silicon-graphite blended electrodes. Herein, we present a comprehensive model for blended Si/Gr electrodes that incorporates the distinct properties and kinetics of each material. Our approach accounts for the dependence of electrode thickness and solid …
Modeling Self-Discharge In Li/S Batteries Through Electrochemical Anode Reactions: A Theoretical Perspective, Ralph E. White, Paul T. Coman
Modeling Self-Discharge In Li/S Batteries Through Electrochemical Anode Reactions: A Theoretical Perspective, Ralph E. White, Paul T. Coman
Faculty Publications
The growing demand for high-energy-density batteries has renewed interest in lithium–sulfur (Li/S) systems, which offer significant advantages but suffer from severe self-discharge during rest. While prior studies attribute this degradation to chemical parasitic reactions or polysulfide shuttling, they overlook the inherently electrochemical nature of anode-side processes. In this work, a 1D physics-based model of a Li/S battery was developed to explicitly incorporate lithium-metal oxidation and the stepwise electrochemical reduction of polysulfides at the anode. Using COMSOL Multiphysics, galvanostatic discharge followed by open-circuit rest under two conditions was analyzed - with and without parasitic anode reactions. The results show that when …
Numerical Simulation For The Design Of Induction Heating Based Radio Frequency Reactor For Ethylene Production, Hunter Teel, Matthew Craps, Hector-Colon Mercado, Perter Ciesielski, Sirivatch Shimpalee
Numerical Simulation For The Design Of Induction Heating Based Radio Frequency Reactor For Ethylene Production, Hunter Teel, Matthew Craps, Hector-Colon Mercado, Perter Ciesielski, Sirivatch Shimpalee
Faculty Publications
Ethylene is a vital petrochemical compound produced in vast amounts yearly by manufacturers that have enough scale to overcome the inherent thermodynamic inefficiencies of the process. In order to address the inefficiencies that prevent smaller scale or intermittent production ethylene, investigation of new production methods are required. In this work, we investigate the use of a radio frequency (RF) based reactor system that generates heat internally as opposed to applying heat externally via steam or direct combustion of fossil fuels. In order to guide the design of an electromagnetic based reactor system, we have created a macroscale model capable of …
A Comparative Techno-Economic Analysis Of Aqueous And Anhydrous Hcl Electrolysis Processes, O. Felix, K. Likit-Anurak, K. Ngamsanroaj, Sirivatch Shimpalee, Ben Meekins
A Comparative Techno-Economic Analysis Of Aqueous And Anhydrous Hcl Electrolysis Processes, O. Felix, K. Likit-Anurak, K. Ngamsanroaj, Sirivatch Shimpalee, Ben Meekins
Faculty Publications
The state-of-the-art aqueous HCl electrolysis process is a well-established process for chlorine production but faces challenges such as limited conversion efficiencies, corrosion, and additional pre- and post-electrolyzer processing steps that add to its cost. This study evaluates whether a recently demonstrated anhydrous HCl electrolysis process is more economically viable than the state-of-the-art aqueous process. A 1D electrolyzer model was developed using Aspen Custom Modeler® and integrated into Aspen Plus® for process modeling. Multiple conversion efficiencies (30.5 %, 50 %, 80 %, and 93.4 %) were analyzed for the anhydrous process, with various heat recovery and heat exchanger configurations assessed using …
Electrochemically Active Liquid Organic Hydrogen Carriers For Energy Generation And Storage, Jinyao Tang
Electrochemically Active Liquid Organic Hydrogen Carriers For Energy Generation And Storage, Jinyao Tang
Theses and Dissertations
The growing demand for sustainable energy has spurred interest in hydrogen as a clean energy carrier, yet its widespread adoption is limited by storage and transport challenges. Liquid organic hydrogen carriers (LOHCs) offer a promising solution by enabling reversible hydrogen storage through chemical redox reactions under ambient conditions. Compared to conventional thermal methods, LOHC electrochemistry provides improved energy efficiency, operational safety, and integration into electrochemical systems. However, key challenges remain, such as catalyst deactivation, limited redox reversibility, and low system-level performance that hinder broader application. Alcohols like isopropanol (IPA) and cyclohexanol (CHOL), and amines like ethylamine, have emerged as promising …
High-Frequency Impedance Spectroscopy: Measurement Reproducibility, Electromagnetic, And Ionic Effects In Cylindrical Lithium-Ion Cells, Matthew R. King, Paul T. Coman, Rafid Mollah, Md Rayhan Khan, Saranraj Karuppuswami, Taylor R. Garrick, Ralph E. White
High-Frequency Impedance Spectroscopy: Measurement Reproducibility, Electromagnetic, And Ionic Effects In Cylindrical Lithium-Ion Cells, Matthew R. King, Paul T. Coman, Rafid Mollah, Md Rayhan Khan, Saranraj Karuppuswami, Taylor R. Garrick, Ralph E. White
Faculty Publications
Accurate high-frequency electrochemical impedance spectroscopy (HF EIS) is critical for understanding lithium-ion battery (LIB) behavior under AC perturbations, relevant to electric vehicle systems and charging infrastructure. However, measurements at high frequencies are often distorted by external electromagnetic interference, poor contact quality, and wiring artifacts. This study investigates four experimental testbench configurations for HF EIS of cylindrical LIBs, highlighting the impact of contact resistance, Faraday shielding, wire twisting, and calibration. A coupled electrochemical-electromagnetic model is developed to isolate and analyze the skin effect and frequency-dependent electrolyte conductivity. Results show that spot-welded connections, twisted and shielded wiring, and calibration within a Faraday …
3d Nano-Architected Polymer Shell Enables Reconfigurable Stabilized Blue Phase Soft Crystals, Sephideh Norouzi, Yazael R. Morales-Flores, Tadej Emersic, Jeremy Money, Otillo E. Rodriguez-Lopez, Andrew Casale, Juan J. De Pablo, Jose A. Martinez-Gonzalez, Monirosadat Sadati
3d Nano-Architected Polymer Shell Enables Reconfigurable Stabilized Blue Phase Soft Crystals, Sephideh Norouzi, Yazael R. Morales-Flores, Tadej Emersic, Jeremy Money, Otillo E. Rodriguez-Lopez, Andrew Casale, Juan J. De Pablo, Jose A. Martinez-Gonzalez, Monirosadat Sadati
Faculty Publications
Blue phases (BPs), formed through the self-assembly of chiral liquid crystal molecules into 3D nanolattices with cubic symmetries, exhibit dynamic photonic bandgaps in the visible spectrum, offering transformative opportunities for advanced optical circuits, sensing and communication technologies. However, their thermal stability is restricted to a narrow temperature range (0.5–1.0 K), limiting practical applications. Polymer stabilization of bulk BPs has extended thermal stability but often compromises the dynamic behavior essential for fast-response functionalities. Here, experimental and computational approaches are integrated to investigate the effect of curvature and interfacial interactions on BP polymer stabilization. It is demonstrated that photo-polymerization of reactive monomers …
Understanding The Effects Of Binder Dissolution Dynamics On The Chemistry And Performance Of Lithium–Sulfur Batteries, Saheed A. Lateef, John Chmiola, Fabio Albano, William E. Mustain, Golareh Jalilvand
Understanding The Effects Of Binder Dissolution Dynamics On The Chemistry And Performance Of Lithium–Sulfur Batteries, Saheed A. Lateef, John Chmiola, Fabio Albano, William E. Mustain, Golareh Jalilvand
Faculty Publications
Lithium–sulfur batteries (LSBs) are promising next-generation energy storage devices due to their higher theoretical specific energy and lower cost compared to conventional Lithium-ion batteries. However, their practical implementation has been hindered by severe performance degradation during extended cycling, primarily driven by shuttling of soluble sulfur discharge products (polysulfides) between the cathode and anode leading to capacity loss. In this work, we investigate the impact of selected binders and solvents, highlighting the effect of the dissolution process of the binder in solvent, on the structural properties and electrochemical performance of sulfur cathode. It is demonstrated for a variety of binders that …
Low-Cost, High-Performance Electrodes For Pgm-Free Aem Water Electrolyzers: Structural Optimization Of Nimo-Based Cathodes, Mahmoud Amirsalehi, Noor Ul Hassan, Venkata Sai Sriram Mosali, Ian Street, Marjanul Manjum, Saheed Adewale Lateef, Jasmine Bohannon, Sam Mckinney, Ashutosh G. Divekar, Paul A. Kohl, Mustain E. William
Low-Cost, High-Performance Electrodes For Pgm-Free Aem Water Electrolyzers: Structural Optimization Of Nimo-Based Cathodes, Mahmoud Amirsalehi, Noor Ul Hassan, Venkata Sai Sriram Mosali, Ian Street, Marjanul Manjum, Saheed Adewale Lateef, Jasmine Bohannon, Sam Mckinney, Ashutosh G. Divekar, Paul A. Kohl, Mustain E. William
Faculty Publications
Water electrolysis technologies for hydrogen production are receiving significant attention due to a drastic reduction in the cost of renewable energy sources in recent years. Though traditional alkaline and proton exchange membrane water electrolyzers are receiving the most commercial attention, the anion exchange membrane water electrolyzer (AEMEL) has the potential to be much lower in cost. AEMELs have recently shown remarkable progress in terms of performance and durability. However, they are still mostly operated with expensive platinum group metal (PGM) catalysts on both the anode and cathode. To achieve low cost, either PGM-free or ultra-low loading PGM catalysts are needed. …
Effect Of Precursors On Trimetallic Ruthenium-Based Catalysts Supported On Γ‑Al2O3 Pellets For Low-Temperature Ammonia Decomposition, Christopher J. Koch, Jennifer Naglic, Logan Kearney, Daniel Clairmonte, Binod Rai, Jochen A. Lauterbach, Lucas M. Angelette, Tyler Guin
Effect Of Precursors On Trimetallic Ruthenium-Based Catalysts Supported On Γ‑Al2O3 Pellets For Low-Temperature Ammonia Decomposition, Christopher J. Koch, Jennifer Naglic, Logan Kearney, Daniel Clairmonte, Binod Rai, Jochen A. Lauterbach, Lucas M. Angelette, Tyler Guin
Faculty Publications
Ammonia is a promising candidate as a liquid hydrogen energy storage medium, but it requires catalytic decomposition (ammonia cracking) to regenerate hydrogen. Recently developed trimetallic ruthenium−potassium-promoter (RuKM) ammonia decomposition catalysts have exceptionally low ammonia decomposition temperatures, able to perform the decomposition as low as 250 °C, which is significantly lower than other known catalysts that require temperatures above 500 °C. However, the effects of the RuKM precursor on the catalytic activity have not been investigated. We report the observed differences of 3% ruthenium/12% potassium/1% yttrium (RuKY) catalysts on γ-alumina synthesized from chloride-, nitrate-, and acetate-based precursors. Catalysts synthesized from chloride-based …
Ultrasonic Spray Coating Of Carbon Fibers For Composite Cathodes In Structural Batteries, Thomas Burns, Liliana Delatte, Gabriela Roman-Martinez, Kyra Glassey, Paul Ziehl, Monirosadat Sadati, Ralph E. White, Paul T. Coman
Ultrasonic Spray Coating Of Carbon Fibers For Composite Cathodes In Structural Batteries, Thomas Burns, Liliana Delatte, Gabriela Roman-Martinez, Kyra Glassey, Paul Ziehl, Monirosadat Sadati, Ralph E. White, Paul T. Coman
Faculty Publications
Structural batteries, also known as “massless batteries”, integrate energy storage directly into load-bearing materials, offering a transformative alternative to traditional Li-ion batteries. Unlike conventional systems that serve only as energy storage devices, structural batteries replace passive structural components, reducing overall weight while providing mechanical reinforcement. However, achieving uniform and efficient coatings of active materials on carbon fibers remains a major challenge, limiting their scalability and electrochemical performance. This study investigates ultrasonic spray coating as a precise and scalable technique for fabricating composite cathodes in structural batteries. Using a computer-controlled ultrasonic nozzle, this method ensures uniform deposition with minimal material waste …
Multiscale Modeling Techniques For Electrodynamic Systems, Hunter Teel
Multiscale Modeling Techniques For Electrodynamic Systems, Hunter Teel
Theses and Dissertations
In order to rapidly develop better electromagnetic and electrochemical systems, approaching these complicated topics from multiple perspectives is necessary. The use of mathematical models and numerical simulation offers the ability to evaluate and predict the performance of these systems based off the principles of electrodynamics in an ideal setting. Through the use of Computational Fluid Dynamics (CFD), representative geometries of scales can be created and evaluated to provide insight into the behavior of these systems. Simulation offers a modifiable environment that can approach the relevant physics from both the microscale and macroscale. Conclusions, results, boundary conditions, or other information from …
Experimental And Numerical Analysis Of Fluidization Of Pelletized Activated Carbon Columns: Effects Of Glass Bead Retention Layer, Amin Nemati Tamar
Experimental And Numerical Analysis Of Fluidization Of Pelletized Activated Carbon Columns: Effects Of Glass Bead Retention Layer, Amin Nemati Tamar
Theses and Dissertations
In pressure swing adsorption (PSA) processes there is always a desire to process as much gas as possible in the smallest beds possible. This necessarily leads to velocities that, especially during pressure-changing steps, may exceed the adsorbent particle fluidization velocity within the bed. To prevent the possibility of bed expansion and fluidization bed retention systems are usually employed at the top of the bed in the form of dense beads, bags of the same or springs, otherwise the mechanical integrity of the adsorbent might become compromised. PSA process simulation, based on Archimedes’ force balance involving weight, buoyancy and the drag …
Understanding Ionic Transport In Perovskite Lithium-Ion Conductor Li3/8Sr7/16Ta3/4Hf1/4O3: A Neutron Diffraction And Molecular Dynamics Simulation Study †, Danyi Sun, Nan Wu, Yeting Wen, Shichen Sun, Yufang He, Ke Huang, Cheng Li, Bin Ouyang, Ralph E. White, Kevin Huang
Understanding Ionic Transport In Perovskite Lithium-Ion Conductor Li3/8Sr7/16Ta3/4Hf1/4O3: A Neutron Diffraction And Molecular Dynamics Simulation Study †, Danyi Sun, Nan Wu, Yeting Wen, Shichen Sun, Yufang He, Ke Huang, Cheng Li, Bin Ouyang, Ralph E. White, Kevin Huang
Faculty Publications
Solid-state Li-ion electrolytes (SSEs) are essential for the development of next-generation solid-state Li-metal batteries and new Li-extraction electrochemical cells. Among these, the perovskite-type SSE Li3/8Sr7/16Ta3/4Hf1/4O3 (LSTH) has garnered attention for Li-extraction applications, owing to its outstanding chemical and thermal stability and high ionic conductivity. However, its precise crystal structure and Li-ion transport mechanisms remain insufficiently understood. This study addresses these gaps by employing neutron diffraction to resolve LSTH's crystallography and machine learning force field (MLFF) based MD simulations to elucidate ionic transport mechanisms. A single-phase LSTH, synthesized via the sol–gel method, exhibits a room-temperature bulk conductivity of 0.418 mS cm−1 …
Processing Parameter-Performance Nexus In 3d Printing Of Nanostructured Chiral Photonics, Kyle George, Nader Taheri-Qazvini, Peter D. Olmsted, Monirosadat Sadati
Processing Parameter-Performance Nexus In 3d Printing Of Nanostructured Chiral Photonics, Kyle George, Nader Taheri-Qazvini, Peter D. Olmsted, Monirosadat Sadati
Faculty Publications
Precisely crafted hierarchical architectures found in naturally derived biomaterials underpin the exceptional performance and functionality showcased by the host organism. In particular, layered helical assemblies composed of cellulose, chitin, or collagen serve as the foundation for some of the most mechanically robust and visually striking natural materials. By utilizing structured materials in additive manufacturing techniques such as extrusion-based 3D printing, the intrinsic deformation process can be used to implement bottom-up design of printed constructs, offering the potential to create intricate macroscale geometries with embedded nanoscale functionality. In this study, comprehensive rheological and rheo-optical characterization of structurally colored, photocurable liquid crystalline …
Probing Ion-Blocking Electrode Rigs For Ionic Conductivity In Hybrid Solid Polymer Electrolytes, Kyra Glassey, Gabriela Roman-Martinez, Liliana Delatte, Thomas Burns, Monirosadat Sadati, Paul T. Coman, Ralph E. White
Probing Ion-Blocking Electrode Rigs For Ionic Conductivity In Hybrid Solid Polymer Electrolytes, Kyra Glassey, Gabriela Roman-Martinez, Liliana Delatte, Thomas Burns, Monirosadat Sadati, Paul T. Coman, Ralph E. White
Faculty Publications
Solid electrolytes are critical for structural batteries, combining energy storage with structural strength for applications like electric vehicles and aerospace. However, achieving high ionic conductivity remains challenging, compounded by a lack of standardized testing methodologies. This study examines the impact of experimental setups and data interpretation methods on the measured ionic conductivities of solid polymer electrolytes (SPEs). SPEs were prepared using a polymer-induced phase separation process, resulting in a bi-continuous microstructure for improved ionic transport. Eight experimental rigs were evaluated, including two- and four-electrode setups with materials like stainless steel, copper, and aluminum. Ionic conductivity was assessed using electrochemical impedance …
Modeling Reversible Volume Change In Automotive Battery Cells With Porous Silicon Oxide-Graphite Composite Anodes, Taylor R. Garrick, Brian J. Koch, Miguel A. Fernandez, Erin Efimoff, Hunter Teel, Matthew D. Jones, Mingjie Tu, Sirivatch Shimpalee
Modeling Reversible Volume Change In Automotive Battery Cells With Porous Silicon Oxide-Graphite Composite Anodes, Taylor R. Garrick, Brian J. Koch, Miguel A. Fernandez, Erin Efimoff, Hunter Teel, Matthew D. Jones, Mingjie Tu, Sirivatch Shimpalee
Faculty Publications
Automotive battery manufacturers are working to improve the individual cell and overall pack design by increasing durability, performance, and range, while reducing cost, and active material volume change is a key aspect that needs to be considered during this design process. Recently, silicon oxide-graphite composite anodes are being explored to increase total anode capacity while maintaining a tolerable amount of cell level reversible volume expansion due to the relatively lower reversible volume change of the silicon oxide compared to pure battery grade or metallurgical grade silicon. To predict the blended anode response and contribution to the overall cell volume change, …
Feasibility Study Of Perovskite Solid Electrolyte For Electrochemical Lithium-Ion Cells, Danyi Sun
Feasibility Study Of Perovskite Solid Electrolyte For Electrochemical Lithium-Ion Cells, Danyi Sun
Theses and Dissertations
To achieve a high energy density in lithium-ion batteries (LIB), replacing the graphite anode with lithium metal is essential, as it offers a theoretical capacity of 3840 mAh/g.(Q. Wang et al. 2021) However, the use of lithium metal anodes is restricted by the formation of lithium dendrites, which can cause short circuits.(Wood et al. 2016) Solid-state electrolytes present a viable alternative to conventional liquid electrolytes by potentially mitigating dendrite growth. Among these, the perovskite-type Li3/8Sr7/16Ta3/4Zr1/4O3 (LSTH) stands out due to its excellent ambient stability, although its synthesis, properties, and applications remain underexplored.(Y. Li et al. 2018) In this study, I …
Design And Application Of Redox-Mediated Flow Electrode Electrodialysis For Ion Removal And Recovery, Rongxuan Xie
Design And Application Of Redox-Mediated Flow Electrode Electrodialysis For Ion Removal And Recovery, Rongxuan Xie
Theses and Dissertations
To meet the growing demand for freshwater driven by population growth and rising living standards, the first desalination plants were established in the late 1950s. As energy costs have risen over time, research has increasingly focused on reducing the overall cost of water treatment. Electrodialysis (ED), which facilitates the migration of anions and cations across ion exchange membranes under the influence of an electric field, has gained significant attention as a treatment method for saline water and brine due to its simplicity, low cost, and scalability. However, its traditional batch operation mode and the potential for generating flammable gases have …