Journal ArticleDOI
Effect of Carbonate Anions on Quaternary Ammonium-Hydroxide Interaction
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In this paper, two main challenges in state-of-the-art anion-exchange membrane fuel cells (AEMFCs) were identified: first, cation degradation in the presence of hydroxide anions; second, carbonation process d...Abstract:
Currently, there are two main challenges in state-of-the-art anion-exchange membrane fuel cells (AEMFCs)—first, cation degradation in the presence of hydroxide anions; second, carbonation process d...read more
Citations
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Fast parallel algorithms for short-range molecular dynamics
TL;DR: Comparing the results to the fastest reported vectorized Cray Y-MP and C90 algorithm shows that the current generation of parallel machines is competitive with conventional vector supercomputers even for small problems.
Guanidinium-FunctionalizedAnionExchangePolymerElectrolytesvia Activated Fluorophenyl-Amine Reaction
TL;DR: Guanidinium-functionalized poly(arylene ether sulfone) anion exchange polymer electrolytes were synthesized via activated fluorophnyl-amine reaction, followed by the methylation with dimethyl sulfate.
Journal ArticleDOI
Measuring the true hydroxide conductivity of anion exchange membranes
TL;DR: In this article, a CO2-in-situ purging technique was used to measure the true conductivity of several anion exchange membranes (AEMs) and the de-carbonation process in all the studied AEMs was also investigated.
Carbonate and Bicarbonate Ion Transport in Alkaline Anion Exchange Membranes
Andrew M. Kiss,Timothy D. Myles,Kyle N. Grew,Aldo A. Peracchio,George J. Nelson,Wilson K. S. Chiu +5 more
TL;DR: In this paper, a procedure is outlined to take data from a permeation-based water flux experiment and determine diffusion coefficients and the ionic conductivity of the membrane, using principles from kinetic theory.
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Synthesis of CeO x -Decorated Pd/C Catalysts by Controlled Surface Reactions for Hydrogen Oxidation in Anion Exchange Membrane Fuel Cells
Ramesh Kumar Singh,Elena S. Davydova,John C. Douglin,Andres O. Godoy,Haiyan Tan,Marco Bellini,Bryan J. Allen,Jasna Jankovic,Hamish A. Miller,Ana C. Alba-Rubio,Dario R. Dekel +10 more
References
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Journal ArticleDOI
VMD: Visual molecular dynamics
TL;DR: VMD is a molecular graphics program designed for the display and analysis of molecular assemblies, in particular biopolymers such as proteins and nucleic acids, which can simultaneously display any number of structures using a wide variety of rendering styles and coloring methods.
Journal ArticleDOI
Fast parallel algorithms for short-range molecular dynamics
TL;DR: In this article, three parallel algorithms for classical molecular dynamics are presented, which can be implemented on any distributed-memory parallel machine which allows for message-passing of data between independently executing processors.
Fast parallel algorithms for short-range molecular dynamics
TL;DR: Comparing the results to the fastest reported vectorized Cray Y-MP and C90 algorithm shows that the current generation of parallel machines is competitive with conventional vector supercomputers even for small problems.
Journal ArticleDOI
Canonical dynamics: Equilibrium phase-space distributions
TL;DR: The dynamical steady-state probability density is found in an extended phase space with variables x, p/sub x/, V, epsilon-dot, and zeta, where the x are reduced distances and the two variables epsilus-dot andZeta act as thermodynamic friction coefficients.
Journal ArticleDOI
A unified formulation of the constant temperature molecular dynamics methods
TL;DR: In this article, the authors compared the canonical distribution in both momentum and coordinate space with three recently proposed constant temperature molecular dynamics methods by: (i) Nose (Mol. Phys., to be published); (ii) Hoover et al. [Phys. Rev. Lett. 77, 63 (1983); and (iii) Haile and Gupta [J. Chem. Phys. 79, 3067 (1983).