Dynamics and thermodynamics of a novel phase of NaAlH4.

Biosorption of cobalt (II) by Inta ct and Chemically Modified Brown Algae: Optimization Using Resp onse Surface Methodology and Equilibrium, Dynamics and Thermodynamics Studies

How intimate contact with nanoporous carbon benefits the reversible hydrogen desorption from NaH and NaAlH4.

The kinetics and thermodynamics for the reversible hydrogen desorption from NaH (and NaH derived from NaAlH4) are greatly improved by nanosizing and providing close contact to a porous carbon matrix.

FY 2009 Annual Progress Report DOE Hydrogen Program

Showed that the calculated activation energy for • AlH3 vacancy diffusion in NaAlH4 is 85 kJ/mol H2, suggesting that it is the rate-limiting step in hydrogen release kinetics from Ti-doped samples. Obtained the activation energies for surface• controlled vacancy creation in pure undoped NaAlH4, showed that vacancy creation limits the dehydrogenation kinetics for particle sizes above ~0.1 μm. Id...

The Effects of Different SDE Calculus on Dynamics of Nano-Aerosols Motion in Two Phase Flow Systems

Langevin equation for a nano-particle suspended in a laminar fluid flow was analytically studied. The Brownian motion generated from molecular bombardment was taken as a Wiener stochastic process and approximated by a Gaussian white noise. Euler-Maruyama method was used to solve the Langevin equation numerically. The accuracy of Brownian simulation was checked by performing a series of simulati...

New High-pressure Phases of Lithium and Sodium Aluminum Tetrahydrides and their Implications to Hydrogen Storage

A systematic high-pressure study on LiAlH4 and NaAlH4 has been carried out using density-functional total-energy calculations. From the theoretical simulations, it is found that both LiAlH4 and NaAlH4 are subject to structural phase transitions at high pressure. α-LiAlH4 transforms to β-LiAlH4 (α-NaAlH4–type structure) at 2.6 GPa with a huge volume collapse of ca. 22 % (according to equilibrium...