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163 full-text articles. Page 6 of 7.

Mechanics-Based Model For Non-Affine Swelling In Perfluorosulfonic Acid (Pfsa) Membranes, Ahmet Kusoglu, Michael H. Santare, Anette M. Karlsson 2013 University of Delaware

Mechanics-Based Model For Non-Affine Swelling In Perfluorosulfonic Acid (Pfsa) Membranes, Ahmet Kusoglu, Michael H. Santare, Anette M. Karlsson

Anette M Karlsson

A mechanics-based model is developed to predict the swelling pressure in perfluorosulfonic acid (PFSA) ionomer membranes during water uptake. The PFSA membrane is represented as a two-phase system, where the water-filled hydrophilic domains are dispersed throughout the hydrophobic polymer matrix. Two representative volume elements (RVEs) are used to represent the nanostructure: (i) a spherical RVE with a spherical hydrophilic domain at the center, and (ii) a cylindrical RVE with a cylindrical hydrophilic domain. The model starts with the non-affine swelling behavior of the membrane and interprets this as a structural reorganization of the RVEs to characterize the microscopic deformation. Swelling ...


Micromechanics Model Based On The Nanostructure Of Pfsa Membranes, Ahmet Kusoglu, Michael H. Santare, Anette M. Karlsson, William B. Johnson, Simon Cleghorn 2013 University of Delaware

Micromechanics Model Based On The Nanostructure Of Pfsa Membranes, Ahmet Kusoglu, Michael H. Santare, Anette M. Karlsson, William B. Johnson, Simon Cleghorn

Anette M Karlsson

A micromechanics model is developed to predict Young’s modulus of perfluorosulfonic acid (PFSA) membranes at various temperatures and water contents. The morphology of PFSA membranes is characterized by a two-phase structure, where hydrophilic clusters expand to hold water molecules during swelling, whereas the hydrophobic polymer network maintains the structural stability. A representative volume element (RVE) is proposed based on the descriptions for the nanostructure of PFSA membranes available in the literature. On the basis of mechanics model, we estimate Young’s modulus in tension of PFSA membranes as a function of water volume fraction for various temperatures. The results ...


Stress-Strain Behavior Of Perfluorosulfonic Acid Membranes At Various Temperatures And Humidities: Experiments And Phenomenological Modeling, Ahmet Kusoglu, Yaliang Tang, Michael Santare, Anette M. Karlsson, Simon Cleghorn, William B. Johnson 2013 University of Delaware

Stress-Strain Behavior Of Perfluorosulfonic Acid Membranes At Various Temperatures And Humidities: Experiments And Phenomenological Modeling, Ahmet Kusoglu, Yaliang Tang, Michael Santare, Anette M. Karlsson, Simon Cleghorn, William B. Johnson

Anette M Karlsson

The constitutive response of perfluorinated sulfonic acid (PFSA) membranes based on tensile testing is investigated, and a phenomenological constitutive model for the elastoplastic flow behavior as a function of temperature and humidity is proposed. To this end, the G'Sell–Jonas (1979, “Determination of the Plastic Behavior of Solid Polymers at Constant True Strain Rate,” J. Mater. Sci., 14, pp. 583–591) constitutive model for semicrystalline polymers is extended by incorporating, in addition to temperature, relationships between the material constants of this model and the measured relative humidity. By matching the proposed constitutive model to the experimental stress-strain data, useful ...


Performance Evaluation On Vanadium Transport Through Supported Liquid Membrane By Tomac As Carrier, Somayyeh Nosrati Dr, N S. Jayakumar Dr, Mohd Ali Hashim Dr, Soumyadeep Mukhopadhyay Dr 2013 University of Malaya

Performance Evaluation On Vanadium Transport Through Supported Liquid Membrane By Tomac As Carrier, Somayyeh Nosrati Dr, N S. Jayakumar Dr, Mohd Ali Hashim Dr, Soumyadeep Mukhopadhyay Dr

Soumyadeep Mukhopadhyay Dr

Many industries use vanadium increasingly and as a consequence, the toxic effluents cause environmental concern. Here, we study the extraction of vanadium in supported ionic liquid membrane was studied. The effect of operational conditions on the process performance such as initial feed phase concentration, pH of the feed solution, pore size of the membrane support, type of ionic liquid charged on the support and stripping agent solution was investigated. Vanadium was effectively transported from the feed phase to the stripping phase of ammonia solution using the room temperature ionic liquid, tri-n-octyl methyl ammonium chloride (TOMAC) embedded in the support membrane ...


Development Of Polymeric Porous Membrane For Mediator-Less Microbial Fuel Cells: An Electrochemical Study, Yanbin Fu, Zahra Poursharifi, Maziar Ashuri, Nicole N. Hashemi, Reza Montazami 2013 Iowa State University

Development Of Polymeric Porous Membrane For Mediator-Less Microbial Fuel Cells: An Electrochemical Study, Yanbin Fu, Zahra Poursharifi, Maziar Ashuri, Nicole N. Hashemi, Reza Montazami

Mechanical Engineering Conference Presentations, Papers, and Proceedings

In this work, gold nanoparticles (AuNPs) are embedded on the proton exchange membrane in a straightforward manner and are made highly stable. Nanoparticles provide high surface-to-volume ratio with excellent biocompatibility, using appropriate ligands, which allows for a biocompatible environment for bacterial functions. High conductivity, high surface area and catalytic properties of AuNPs make them excellent materials for MFCs. We employed layer-by-layer (LbL) self-assembly technique to prepare multilayered thin-films of polycation poly(allylamine hydrochloride) (PAH) and negatively functionalized AuNPs. The (PAH/AuNP) thin-films act as the catalyst layers and are to provide means for high porosity and high electrical conductive in ...


Career: A New Class Of Modified Mesoporous Silica Membranes With Controlled Pore Size And Surface Functionalization Through Unique Synthetic Approaches, William J. DeSisto 2012 Principal Investigator; University of Maine, Orono

Career: A New Class Of Modified Mesoporous Silica Membranes With Controlled Pore Size And Surface Functionalization Through Unique Synthetic Approaches, William J. Desisto

University of Maine Office of Research Administration: Grant Reports

Artificial membranes made from sand-like materials known as silica are potentially more energy efficient than other separation processes such as distillation (change in phase from liquid to gas) because there is no phase change required to perform the separation. In addition, the opportunity exists for combining reaction and separation within a single unit using membrane reactors, thereby increasing yield on thermodynamically-limited reactions. However, the fabrication of high-quality silica membranes with pore size control and surface chemistry control remains challenging because of the inherent limits of existing synthetic approaches used to fabricate silica membranes. The researchers at the University of Maine ...


Synthesis And Characterization Of Mesoporous Silica Membranes Modified By Atomic And Molecular Layer Deposition, David Emmett Cassidy 2012 The University of Maine

Synthesis And Characterization Of Mesoporous Silica Membranes Modified By Atomic And Molecular Layer Deposition, David Emmett Cassidy

Electronic Theses and Dissertations

Inorganic membranes offer a means for chemical separations in a variety of applications including chemical processing, drug delivery systems, battery separators and fuel cells. There is currently a “pore size gap” in silica membranes between 1-2 nanometers. Synthesizing membranes with a fine control of the pore size and distribution within that gap is a significant challenge. This thesis reports findings on using atomic and molecular layer deposition as new synthesis approaches to controlling pore size and chemical functionality of silica membranes. Mesoporous silica membranes, prepared using surfactant-templates with pore diameters ~4nm, were modified using atomic layer deposition and molecular layer ...


Molecular Dynamic Simulations Of The Effect On The Hydration Of Nafion In The Presence Of A Platinum Nanoparticle, Myvizhi Esai Selvan, Qianping He, Elisa Calvo-Muñoz, David Keffer 2012 University of Tennessee - Knoxville

Molecular Dynamic Simulations Of The Effect On The Hydration Of Nafion In The Presence Of A Platinum Nanoparticle, Myvizhi Esai Selvan, Qianping He, Elisa Calvo-Muñoz, David Keffer

David Keffer

Platinum catalysts play a critical role in fuel cell technology. Current optimization efforts focus on reducing the amount of Pt in the system and optimizing the utilization of that which remains. The effect of the presence of Pt nanoparticles on the local structure and morphology of the polymer electrolyte membrane, water, and hydronium ions has been studied at molecular level in this work. Classical molecular dynamics simulation has been used to examine a system containing a 4 nm fcc cubic ({100} face) platinum nanoparticle at the center surrounded by Nafion polymer, water molecules, and hydronium ions at λ = 3, 6 ...


Multi-Scale Models For Sulfonated Cross-Linked Poly (1, 3-Cyclohexadiene) Polymer, Qifei Wang, David Keffer, Suxiang Deng, Jimmy Mays 2012 University of Tennessee - Knoxville

Multi-Scale Models For Sulfonated Cross-Linked Poly (1, 3-Cyclohexadiene) Polymer, Qifei Wang, David Keffer, Suxiang Deng, Jimmy Mays

David Keffer

Atomistic and coarse-grained (CG) models of cross-linked sulfonated Poly (1, 3-cyclohexadiene) (xsPCHD) were developed and implemented in Molecular Dynamics (MD) simulations of PCHD chains with different architectures. In the atomistic model, PCHD chains are cross linked by a sulfur–sulfur bond. Sulfonic acid groups are evenly distributed along the chain. The architecture is specifically aimed for application as a proton exchange membrane used in fuel cells. An atomistic force field for this architecture was tested and applied in the atomistic MD simulation of xsPCHD for the first time. The atomistic simulations generate the density and cross-linker separation distribution. To further ...


Capturing Ultrasmall Emt Zeolite From Template-Free Systems, Eng-Poh Ng Dr. 2012 Universiti Sains Malaysia, Penang

Capturing Ultrasmall Emt Zeolite From Template-Free Systems, Eng-Poh Ng Dr.

Eng-Poh Ng

No abstract provided.


Application Of Electrospinning Technique In The Fabrication Of A Composite Electrode For Pemfc, Joshua Sightler, Eli McPherson, William A. Rigdon, Xinyu Huang 2012 University of South Carolina - Columbia

Application Of Electrospinning Technique In The Fabrication Of A Composite Electrode For Pemfc, Joshua Sightler, Eli Mcpherson, William A. Rigdon, Xinyu Huang

Faculty Publications

The Pt/C catalysts were mixed with carbon nanotube (CNT), Nafion™ dispersion and a fiber former, polymer poly-acrylic acid (PAA), to form an ink. The ink was deposited onto aluminum foil attached to a rotating collector via an electrospinning process. The ink composition, mixing procedure, and the E-spin parameters were studied for producing a uniform nanofiber mat on the aluminum substrate. The fiber-mat containing active catalyst ingredients was heat treated and decal transferred onto a Nafion membrane to form a membrane electrode assembly (MEA).


Membrane Immobilized Reactive Fe/Pd Nanoparticles: Modeling And Tce Degradation Results, Ruo He 2012 University of Kentucky

Membrane Immobilized Reactive Fe/Pd Nanoparticles: Modeling And Tce Degradation Results, Ruo He

Theses and Dissertations--Chemical and Materials Engineering

Detoxification of chlorinated organic compound is an important and urgent issue in water remediation nowadays. Trichloroethylene (TCE), as a model compound in this study, has been proved to be degraded effectively by bimetallic nanoparticles (NPs) in solution phase. In this study, Fe/Pd bimetallic NPs were synthesized in poly (acrylic acid) (PAA) functionalized polyvinylidene fluoride (PVDF) microfiltration membranes. TCE dechlorination with these bimetallic NPs was conducted under different pH values and different metal loadings to study the role of corrosion on reaction rates.

One-dimensional mathematical model with pseudo first-order reaction kinetic was introduced to discuss the TCE dechlorination profile in ...


Characterization Of Mesoporous Materials Via Fluorescent Spectroscopic Methods, Raymond Russell Kennard 2011 The University of Maine

Characterization Of Mesoporous Materials Via Fluorescent Spectroscopic Methods, Raymond Russell Kennard

Electronic Theses and Dissertations

There are three components that need to be understood to create new porous membranes for industrial applications. 1.) To understand appropriate synthesis conditions to create a successful membrane system. 2.) To understand how the microstructures generated in synthesis affect the transport properties of that system. 3) To be able to characterize the heterogeneity of the fabricated membrane’s transport and physical structure.

Presented within this manuscript are new characterization methods to increase the understanding in membrane technology. It will be demonstrated that the novel application of standard fluorescent methods and the development of new fluorescent methods techniques allows for the ...


Modeling Chemical Degradation And Proton Transport In Perfluorosulfonic Acid Ionomers, Milan Kumar 2011 University of Tennessee, Knoxville

Modeling Chemical Degradation And Proton Transport In Perfluorosulfonic Acid Ionomers, Milan Kumar

Doctoral Dissertations

The ionomer-membrane interface in a membrane electrode assembly connects the catalyst and membrane and allows hydrated protons to move between the catalyst and membrane. The continuous operation of the polymer membrane electrolyte fuel cell at high temperature and/or in frequent freeze/thaw cycles leads to membrane degradation and delamination of the interface, which lower the proton conductivity. In this dissertation, we modeled the chemical degradation and proton conductivity of perfluorosulfonic acid (PFSA) ionomers by ab initio calculations and macroscopic modeling. All ab initio calculations were performed using Gaussian 03 suites of program by employing B3LYP/6-311++G** method/basis ...


A Coarse-Grained Model For Polyethylene Glycol (Peg) Polymer, Qifei Wang, David Keffer, Donald Nicholson 2011 University of Tennessee - Knoxville

A Coarse-Grained Model For Polyethylene Glycol (Peg) Polymer, Qifei Wang, David Keffer, Donald Nicholson

David Keffer

A coarse-grained (CG) model of polyethylene glycol (PEG) was developed and implemented in CG molecular dynamics (MD) simulations of PEG chains with degree of polymerization (DP) 20 and 40. In the model, two repeat units of PEG are grouped as one CG bead. Atomistic MD simulation of PEG chains with DP = 20 was first conducted to obtain the bonded structural probability distribution functions (PDFs) and nonbonded pair correlation function (PCF) of the CG beads. The bonded CG potentials are obtained by simple inversion of the corresponding PDFs. The CG nonbonded potential is parameterized to the PCF using both an inversion ...


Reactive Molecular Dynamics Study Of Proton Transport In Polymer Electrolyte Membranes, Myvizhi Esai Selvan, David Keffer, Shengting Cui 2011 University of Tennessee - Knoxville

Reactive Molecular Dynamics Study Of Proton Transport In Polymer Electrolyte Membranes, Myvizhi Esai Selvan, David Keffer, Shengting Cui

David Keffer

Dynamical properties of water and protons in Nafion with an equivalent weight of 1144 are studied using the recently developed reactive molecular dynamics (RMD) algorithm at various water contents. The structural diffusion of a proton along the aqueous domains is modeled via a mechanism similar to that observed in bulk aqueous systems. The algorithm implements reactivity in classical MD simulations by three steps: (i) satisfaction of the trigger, (ii) instantaneous reaction, and (iii) local equilibration. Two different schemes (Method 1 and Method 2) of execution of the algorithm are investigated, which differ in terms of the range of the local ...


Toward A Predictive Understanding Of Water And Charge Transport In Proton Exchange Membranes, Myvizhi Esai Selvan, Elisa Calvo-Muñoz, David Keffer 2011 University of Tennessee - Knoxville

Toward A Predictive Understanding Of Water And Charge Transport In Proton Exchange Membranes, Myvizhi Esai Selvan, Elisa Calvo-Muñoz, David Keffer

David Keffer

An analytical model for water and charge transport in highly acidic and highly confined systems such as proton exchange membranes of fuel cells is developed and compared to available experimental data. The model is based on observations from both experiment and multiscale simulation. The model accounts for three factors in the system including acidity, confinement, and connectivity. This model has its basis in the molecular-level mechanisms of water transport but has been coarse-grained to the extent that it can be expressed in an analytical form. The model uses the concentration of H3O+ ion to characterize acidity, interfacial surface area per ...


Behavior Of Hydrophobic Ionic Liquids As Liquid Membranes On Phenol Removal: Experimental Study And Optimization, Yee Sern Ng, Jayakumar Natesan Subramaniam, Mohd Ali Hashim 2011 University of Malaya

Behavior Of Hydrophobic Ionic Liquids As Liquid Membranes On Phenol Removal: Experimental Study And Optimization, Yee Sern Ng, Jayakumar Natesan Subramaniam, Mohd Ali Hashim

Ng Yee-Sern

Room temperature ionic liquids show potential as an alternative to conventional organic membrane solvents mainly due to their properties of low vapor pressure, low volatility and they are often stable. In the present work, the technical feasibilities of room temperature ionic liquids as bulk liquid membranes for phenol removal were investigated experimentally. Three ionic liquids with high hydrophobicity were used and their phenol removal efficiency, membrane stability and membrane loss were studied. Besides that, the effects of several parameters, namely feed phase pH, feed concentration, NaOH concentration and stirring speeds on the performance of best ionic liquid membrane were also ...


Mechanical Characterization Of Polymer Electrolyte Membrane With Optical Methods, Xinyu Huang, Luis Alva, Jay Neutzler 2011 University of South Carolina - Columbia

Mechanical Characterization Of Polymer Electrolyte Membrane With Optical Methods, Xinyu Huang, Luis Alva, Jay Neutzler

Faculty Publications

Mechanical properties of polymer electrolyte membrane have important implications in the endurance of many electrochemical energy conversion devices [1]. Mechanical experiments are effective method to reveal discrete damage developed in the membrane by quantifying the change of mechanical strength and toughness. Regular strain measurement methods are overly intrusive to the thin and relatively fragile polymer electrolyte membrane; hence optical-based minimal invasive stress/strain measurement methods are studied.


Applications Of A General Random Walk Theory For Confined Diffusion, Elisa Calvo-Muñoz, Myvizhi Esai Selvan, Ruichang Xiong, Madhusudan Ojha, David Keffer, Donald Nicholson, Takeshi Egami 2010 University of Tennessee - Knoxville

Applications Of A General Random Walk Theory For Confined Diffusion, Elisa Calvo-Muñoz, Myvizhi Esai Selvan, Ruichang Xiong, Madhusudan Ojha, David Keffer, Donald Nicholson, Takeshi Egami

David Keffer

A general random walk theory for diffusion in the presence of nanoscale confinement is developed and applied. The random-walk theory contains two parameters describing confinement: a cage size and a cage-to-cage hopping probability. The theory captures the correct nonlinear dependence of the mean square displacement (MSD) on observation time for intermediate times. Because of its simplicity, the theory also requires modest computational requirements and is thus able to simulate systems with very low diffusivities for sufficiently long time to reach the infinite-time-limit regime where the Einstein relation can be used to extract the self-diffusivity. The theory is applied to three ...


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