Keffer, D. J.

Authored

(184d) Relationship Between Metal Organic Frameworks Structure and Hydrogen Adsorption and Diffusion
2010 Annual Meeting
(702d) Molecular Dynamic Simulations of the Effect On the Hydration of Nafion at the Presence of Nanoparticle
2010 Annual Meeting
(545b) Coarse-Grained Molecular Dynamics Simulation of PET
2010 Annual Meeting
(184e) Molecular Simulations of Adsorption of RDX and TATP In a Photoactive Metal Organic Framework (MOF)
2010 Annual Meeting
(91d) SEM and TEM Studies of Electrode Structure in PEM Fuel Cells
2010 Annual Meeting
(111a) Use of the Ornstein-Zernike Percus-Yevick Equation to Extract Interaction Potentials From Pair Correlation Functions
2010 Annual Meeting
(329b) Study of Proton Transport Using Reactive Molecular Dynamics
2010 Annual Meeting
(379e) Nano-Particle Adhesion In PEM Fuel Cell Electrodes
2011 Annual Meeting
(178h) The Role of Pore Size and Polar Functional Groups in Hydrogen Adsorption in Metal Organic Frameworks
2009 Annual Meeting
(646a) Quantum Mechanics Study Of Decomposition Of CF3OCF3 And (CF3CF2)2O Catalyzed By AlF3
2007 Annual Meeting
(583g) The Performance of Multiple-Mode Models in Single and Double Step-Strain Flows
2005 Annual Meeting
(452c) Toward a Predictive Understanding of Water and Charge Transport In Proton Exchange Membranes
2011 Annual Meeting
(95a) Evaluating Metal Organic Frameworks as Smart Nanoporous Preconcentrators for Explosive Sensing
2009 Annual Meeting
(358c) Energetics of Proton Transfer of Hydrated Perfluorosulfonic Acids
2009 Annual Meeting
(334d) Correlation-Based Coarse Graining Approach To Multiscale Materials Modeling
2007 Annual Meeting
(455e) Studying Thermophysical Properties with Molecular Dynamics
2005 Annual Meeting
(190t) Effective Potential Between Nanoparticles In Suspension
2011 Annual Meeting
(50c) Comparison of Individual Chain Dynamics of a Short-Chain Polyethylene Dense Liquid with Equivalent Free-Draining Dilute Solution Using An Atomistic and Mesoscopic Level Approach
2009 Annual Meeting
(543b) Rheological And Entanglement Characteristics Of Polyethylene Liquids And Visualization Of Conformational Changes In Shear And Elongational Flows
2007 Annual Meeting
(187b) Rheological and Structural Studies of Linear Polyethylene Melts under Planar Elongational Flow Using Nonequilibrium Molecular Dynamics Simulations
2005 Annual Meeting
(420k) Electron Beam Induced Radiation Damage In Nafion and the Lifetime of Fuel Cells
2011 Annual Meeting
(178t) Mechanistic Dynamics of Single Chains in Dense Liquids Under Shear Flow
2009 Annual Meeting
(334o) Reactive Molecular Dynamics Study For The Thermal Decomposition Of CF3OCF3
2007 Annual Meeting
(372e) A Hamiltonian-Based Algorithm for Rigorous Molecular Dynamics Simulation in the Nve, Nvt, Npt, and Nph Ensembles
2005 Annual Meeting
(241c) A Reactive Molecular Dynamics Study of Proton Transport In Polymer Electrolyte Membranes
2011 Annual Meeting
(700e) The Effect of Charge Distribution On RDX Adsorption in IRMOF-10
2009 Annual Meeting
(335k) V.L.E. Of Ethanol And Ethanediol From Molecular Dynamics Simulations And Voronoi Tessellations
2007 Annual Meeting
(592b) Understanding the Relationship between Molecular Architecture and Thermophysical and Rheological Properties of Perfluoropolyethers
2007 Annual Meeting
(475g) Rheological and Structural Studies of Liquid Decane, Hexadecane, and Tetracosane under Planar Elongational Flow Using Nonequilibrium Molecular Dynamics Simulations
2005 Annual Meeting
(318e) Multi-Scale Models for Poly (1, 3-cyclohexadiene) (PCHD) Polymer
2011 Annual Meeting
(517c) Atomistic & Multiscale Modeling of PET
2009 Annual Meeting
(589b) Molecular-Level Modeling of the Structure and Wetting of Electrode/electrolyte Interfaces
2007 Annual Meeting
(232b) Evaluation of Energetic and Entropic Contributions to the Free Energy of Oriented Polymer Melts
2005 Annual Meeting
(456c) Molecular Simulation of Hydrogen Adsorption In Porous Material Made up with Silsesquioxane Units and Metal Catalytic Sites
2011 Annual Meeting
(167e) Study of Proton Transport Using Reactive Molecular Dynamics
2009 Annual Meeting
(334s) Thermophysical Properties Of Aromatic Compounds: Coupling Quantum Mechanics And Statistical Thermodynamics
2007 Annual Meeting
(419a) Test of Viscoelastic Models for Predicting the Rheological Properties of Short-Chain Liquid Alkanes under Shear and Planar Elongational Flow Using Nonequilibrium Molecular Dynamics Simulations
2005 Annual Meeting
(190s) A Coarse-Grained Model for Polyethylene Glycol (PEG) Polymer
2011 Annual Meeting
(605b) The Effect of Polymer Equivalent Weight (EW) On Morphology in Hydrated Perfluorosulfonic Acid Membranes Via Molecular Dynamics Simulations
2009 Annual Meeting
(431c) Reactive Molecular Dynamics Applied to Proton Transport in Fuel Cells
2007 Annual Meeting
(187g) Crystalline Precursor Formations under Steady-State Isothermal Planar Elongational Stretching of N-Eicosane: a Comparison between Simulation and Experiment
2005 Annual Meeting

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