Prediction of the small-k behavior of the structure factor (S(k)) for rubidium and cesium via a new model for the direct correlation function and evaluation of some reported effective pair potentials

Article Abstract:

A new model for the direct correlation function (DCF) and the experimental effective pair potentials are used to predict the low-k behavior of the structure factor S(k) of rubidium and cesium. The results indicate that the potentials are not very accurate, at least for the moderate densities, in regard to predicting S(k), although these potentials are able to generate the pressure-volume-temperature (p-v-T) behavior of alkali metals precisely.

Analysis, Atomic properties, Rubidium, Linear free energy relationship

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Microscopic simulations of interlayer structure and dynamics in bihydrated heterionic montmorillonites

Article Abstract:

The diffusion of a tracer Cs(super +) is simulated in very compacted bentonites, the interlayer spaces of two bihydrated Na-montmorillonites containing a small quantity of cesium are studied by computer simulations. The calculated structural properties show that the water and sodium cations behave in the same way as in pure homoionic Na-montmorillonites.

All Other Basic Inorganic Chemical Manufacturing, Potassium & Sodium Compounds, Sodium & Sodium Compounds, Usage, Simulation methods, Simulation, Sodium compounds, Chemical properties

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