A Kirkwood-Buff Derived Force Field for Aqueous Alkali Halides

Kirkwood–Buff derived force field for mixtures of acetone and water

A united atom nonpolarizable force field for the simulation of mixtures of acetone and water is described. The force field is designed to reproduce the thermodynamics and aggregation behavior of acetone–water mixtures over the full composition range at 300 K and 1 atm using the enhanced simple point charge water model. The Kirkwood–Buff theory of solutions is used to relate molecular distributi...

A Molecular Dynamics Study of Aqueous Solutions III. A Comparison of Selected Alkali Halides

für Naturforschung in cooperation with the Max Planck Society for the Advancement of Science under a Creative Commons Attribution 4.0 International License. Dieses Werk wurde im Jahr 2013 vom Verlag Zeitschrift für Naturforschung in Zusammenarbeit mit der Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. digitalisiert und unter folgender Lizenz veröffentlicht: Creative Commons Namen...

Frenkel Defects in Alkali Halides

A Technique for Preparing Electron Trasparent Substrates of Alkali Halides

A new technique of preparing alkali halides electron transparent substrates has been developed. The substrate crystals are formed inside the holes of a carbon support film, so that each crystal has two free faces for deposition and study. The mechanism of formation of transparent crystals and the important factors involved have been discussed.

Complex metal halides in fused alkali nitrates

The results of this investigation have provided additional information by chemical methods of the extent of association in fused salts. Association effects observed in solubility and rate studies in fused alkali nitrate are shown to be consistent with the assumption that complex ions such as those existing in aqueous solutions are formed between metal ions and halide ions. In addition, the rate...