Open Access. Powered by Scholars. Published by Universities.®
- Institution
- Keyword
-
- Heterogeneous catalysis (2)
- Inhomogeneous fluid (2)
- Molecular dynamics (2)
- Multiscale Modeling (2)
- Multiscale modeling (2)
-
- Thermostat (2)
- Chemical Engineering (1)
- Eco-recycling (1)
- Elastoplasticity (1)
- Ionic liquid (1)
- Ionothermal synthesis (1)
- Lubricant oil (1)
- Membrane durability (1)
- Membrane embrittlement (1)
- Nanocrystal (1)
- Nanozeolite (1)
- Oil lifetime (1)
- PFSA based electrolyte membranes (1)
- PFSA membrane; Swelling pressure; Water sorption (1)
- Plastic flow (1)
- Polymer electrolyte membrane (PEM) fuel cells (1)
- Polymers (1)
- Proton exchange membrane fuel cells (1)
- Sorbent recycling (1)
- Stress-strain relations (1)
- Tensile testing (1)
- Water sorption (1)
- Young's modulus (1)
- Zeolite Synthesis (1)
- Publication
- Publication Type
Articles 1 - 7 of 7
Full-Text Articles in Engineering
Self-Consistent Multiscale Modeling In The Presence Of Inhomogeneous Fields, Ruichang Xiong, Rebecca L. Empting, Ian C. Morris, David J. Keffer
Self-Consistent Multiscale Modeling In The Presence Of Inhomogeneous Fields, Ruichang Xiong, Rebecca L. Empting, Ian C. Morris, David J. Keffer
Faculty Publications and Other Works -- Chemical and Biomolecular Engineering
Molecular dynamics (MD) simulations of a Lennard–Jones fluid in an inhomogeneous external field generate steady-state profiles of density and pressure with nanoscopic heterogeneities. The continuum level of mass, momentum, and energy transport balances is capable of reproducing the MD profiles only when the equation of state for pressure as a function of density is extracted directly from the molecular level of description. We show that the density profile resulting from simulation is consistent with both a molecular-level theoretical prediction from statistical mechanics as well as the solution of the continuum-level set of differential equations describing the conservation of mass and …
Mechanics-Based Model For Non-Affine Swelling In Perfluorosulfonic Acid (Pfsa) Membranes, Ahmet Kusoglu, Michael H. Santare, Anette M. Karlsson
Mechanics-Based Model For Non-Affine Swelling In Perfluorosulfonic Acid (Pfsa) Membranes, Ahmet Kusoglu, Michael H. Santare, Anette M. Karlsson
Mechanical Engineering Faculty Publications
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 …
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
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
Mechanical Engineering Faculty Publications
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 material constants …
Discrete Mnalpo-5 Nanocrystals Synthesized By An Ionothermal Approach, Eng-Poh Ng, Satpal Singh Sekhon, Svetlana Mintova
Discrete Mnalpo-5 Nanocrystals Synthesized By An Ionothermal Approach, Eng-Poh Ng, Satpal Singh Sekhon, Svetlana Mintova
Eng-Poh Ng
Discrete MnAlPO-5 nanocrystals with monomodal particle size distribution (diameter of 80 nm) were synthesized using an ionothermal technique; the pore filling effect of the ionic liquid molecules during the synthesis of microporous nanocrystals is verified.
Selective Capture Of Water Using Microporous Adsorbents To Increase The Lifetime Of Lubricants, Eng-Poh Ng, Luc Delmotte, Svetlana Mintova
Selective Capture Of Water Using Microporous Adsorbents To Increase The Lifetime Of Lubricants, Eng-Poh Ng, Luc Delmotte, Svetlana Mintova
Eng-Poh Ng
Eco-recycling towards an increase of the lifetime of lubricating mineral oil by selective capturing of water with nanosized microporous aluminophosphate and aluminosilicate materials is reported. Quantitative water measurements of oxidized lubricating oil before and after treatment with microporous materials were carried out by FT-IR spectroscopy combined with Karl Fischer titration method. The high selectivity of the nanosized aluminophosphate to water without adsorbing other additives in comparison to nanosized aluminosilicates that are adsorbing altogether polar oxidation products, ionic additives and water are revealed. A removal of nearly 98 % of moisture from the lubricating oil at ambient condition is achieved, which …
Self-Consistent Multiscale Modeling In The Presence Of Inhomogeneous Fields, David Keffer
Self-Consistent Multiscale Modeling In The Presence Of Inhomogeneous Fields, David Keffer
David Keffer
Molecular dynamics (MD) simulations of a Lennard–Jones fluid in an inhomogeneous external field generate steady-state profiles of density and pressure with nanoscopic heterogeneities. The continuum level of mass, momentum, and energy transport balances is capable of reproducing the MD profiles only when the equation of state for pressure as a function of density is extracted directly from the molecular level of description. We show that the density profile resulting from simulation is consistent with both a molecular-level theoretical prediction from statistical mechanics as well as the solution of the continuum-level set of differential equations describing the conservation of mass and …
Inhomogeneous Degradation Of Polymer Electrolyte Membrane In Pem Fuel Cells, Xinyu Huang, Wonseok Yoon
Inhomogeneous Degradation Of Polymer Electrolyte Membrane In Pem Fuel Cells, Xinyu Huang, Wonseok Yoon
Faculty Publications
Membrane durability is one of the technical barriers for the commercialization of polymer electrolyte membrane (PEM) fuel cells. Membrane embrittlement (a form of mechanical weakening) can lead to the frequently observed “sudden death” behavior of PEM fuel cells. It is the objective of this study to explore the fundamental mechanisms of the mechanical weakening of perfluorosulfonic acid (PFSA) based electrolyte membranes during the accelerated degradation test.