Hydrogen production from aluminum-water reactions subject to varied pressures and temperatures

Molecular dynamics simulations of rapid hydrogen production from water using aluminum clusters as catalyzers.

Hydrogen production by metal particles in water could provide a renewable energy cycle, if its reaction kinetics is accelerated. Here, ab initio molecular dynamics simulation reveals rapid hydrogen production from water by a cluster (or superatom) consisting of a magic number of aluminum atoms, Al{n} (for instance, n=12 or 17). We find a low activation-barrier mechanism, in which a pair of Lewi...

Rapid hydrogen production from water using aluminum nanoclusters: A quantum molecular dynamics simulation study

a Collaboratory for Advanced Computing and Simulations, University of Southern California, Los Angeles, CA 90089-0242, USA b Department of Chemical Engineering & Materials Science, University of Southern California, Los Angeles, CA 90089-0242, USA c Department of Physics & Astronomy, University of Southern California, Los Angeles, CA 90089-0242, USA d Department of Computer Science, University ...

Water Production Rates, Rotational Temperatures, and Spin Temperatures

Water hot-band lines were detected in comets C/1999 H1 (Lee), C/1999 S4 (LINEAR), and C/2001 A2 (LINEAR) in the 2.9 m spectral region using high-dispersion (k= k 2 ; 10) infrared spectroscopy with NIRSPEC at the W. M. Keck Observatory. The density of H2O emissions in this spectral region, the spectral coverage and resolution of NIRSPEC, and fluorescence models developed for these hot bands enab...

Water stress of sugarbeet as related to leaf and canopy temperatures and to leaf Water content

Prediction of oxygen solubility in pure water and brines up to high temperatures and pressures

A thermodynamic model is presented to calculate the oxygen solubility in pure water (273–600 K, 0–200 bar) and natural brines containing Na, K, Ca, Mg, Cl , SO4 2 , over a wide range of temperature, pressure and ionic strength with or close to experimental accuracy. This model is based on an accurate equation of state to calculate vapor phase chemical potential and a specific particle interacti...