Determine storage capacities, kinetics, and reversibility • for reactions predicted to have high capacity and suitable thermodynamics for H2 storage applications, i.e., 2LiBH4 + 5Mg(BH4)2 and B20H16. Use combined theory and experiment to characterize • reaction products from 2LiBH4 + 5Mg(BH4)2. Synthesize B • 20H16 and determine hydrogen desorption properties and reaction products. Develop comp...

Hydrogen dissociation on silicon surfaces is strongly activated both by kinetic energy of the H2 molecules as well as by surface temperature. The latter effect is correlated to the dynamical generation of lattice distortions which possess a higher reactivity, similar to static lattice distortions at steps or defects. They lead to a broad distribution of barriers in adsorption which result in a ...

Based on potential–energy curves that were derived from ab initio calculations within the framework of many-body perturbation theory, mixed quantum–classical simulations have been performed to understand the dynamics of the photodesorption process of iodine from KI(100). Dissipation and recoil processes were included by adding a surface oscillator to the ab initio potentials. Using this approac...

Mobility of dissolved organic matter (DOM) strongly affects the export of nitrogen (N) and phosphorus (P) from soils to surface waters. To study the sorption and mobility of dissolved organic C and P (DOC, DOP) in soil, the pH-dependent sorption of DOM to samples from Ap, EB, and Bt horizons from a Danish agricultural Humic Hapludult was investigated and a kinetic model applicable in field-scal...

We present a transient Boltzmann equation based transport and reaction model for atomic layer deposition ~ALD! at the feature scale. The transport model has no adjustable parameters. In this article, we focus on the reaction step and the postreaction purge steps of ALD. The heterogeneous chemistry model consists of reversible adsorption of a reactant on a single site, and irreversible reaction ...

Valonia tannin (VT) was gelated through polymerization with formaldehyde to prepare an adsorbent, which was found effective to remove Ag from aqueous solution. The adsorption–desorption behaviors of valonia tannin resin (VTR) were investigated under various initial Ag concentrations, solution temperatures, pH values etc. The applicability of empirical kinetic models was also studied. The pseudo...

The ability to predict rates of contaminant sorption and desorption in the environment is essential in order to determine contaminant bioavailability, predict contaminant fate and transport, and assess risk. In this paper, we present a new method to determine sorption-desorption time scales from the temporal moments of batch experimental data. Here, the term time scale has a precise meaning: Ti...

Laser-induced thermal desorption of Na dimers from rough sodium surfaces adsorbed on quartz substrates has been studied. For this purpose, laser pulses with 2=532 and 1064 nm and 7 ns duration were used. The kinetic energy distribution and the integral desorption signal of the dimers were determined as a function of the laser fluence. Measurements were also performed after reducing the surface ...

differential scanning calorimetry (dsc), temperature programmed desorption mass spectrometry (tpd-ms) and small angle neutron scattering (sans) were used to investigate co2 uptake by the wyodak coal. adsorption of carbon dioxide on wyodak coal was studied by dsc. the exotherms evident at low temperatures are associated with the uptake of co2 suggesting that carbon dioxide interacts strongly wit...

Article history: Received 11 March 2009 Accepted 16 March 2009 Available online 20 March 2009 Communicated by V.M. Agranovich A simple description of the electrode potential based on the selective ionic adsorption is proposed. It is shown that if the adsorption–desorption coefficients entering in the Langmuir kinetic equation for the adsorption at the limiting surfaces are not identical, a diff...