Are Models of Anion Hydration Overbound ? The Solvation of the Electron and Chloride Anion Compared

Sprik, Michiel

doi:10.1051/jp4:1991512

Cited by 2 publications

(2 citation statements)

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“…The magnitude of the charges and the orientation of a dipole change in response to the local electric field during the simulation. A more detailed description of the polarizable model can be found in ref .…”

Section: Methodsmentioning

confidence: 99%

Pattern Formation in a Self-Assembled Soap Monolayer on the Surface of Water: A Computer Simulation Study

1999

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A classical molecular dynamics simulation of a monolayer of sodium laurate (dodecanoate) at the airwater interface has been carried out. We found highly curved, dynamic structural features within the soap monolayer during the simulation. Introduction of salt in the water appears to suppress the formation of these structural patterns, indicating that electrostatic repulsion among anionic headgroups is a key component in creating these structures.

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Section: Methodsmentioning

confidence: 99%

Pattern Formation in a Self-Assembled Soap Monolayer on the Surface of Water: A Computer Simulation Study

1999

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“…29 Indeed, cavity formation seems to be driven by the large (ϳ1 eV) solvation free energy for isolated electrons in polar solvents. 8,30 Even at high metal concentration, where extended electronic states dominate, the charge-charge interactions should be inhibited by the large (ϳ20) dielectric constant of liquid ammonia. It is our assumption that the electron-electron repulsion is a secondary effect, and that the strong ammonia-electron interaction dominates even for the extended fermion phase.…”

Section: Introductionmentioning

confidence: 99%

Metal ammonia solutions: A lattice model approach

Leung

Csajka

1998

The Journal of Chemical Physics

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A generalized Falicov-Kimball model is applied to study the phase diagram of metal ammonia solutions. The model includes a fluid-fluid interaction term and an electron-fluid interaction with a hard core and an attractive tail. Mean-field theories are derived for the localized and delocalized electron phases using ideas from the slave-boson approach to the Hubbard model. The attractive force stabilizes both the homogeneous delocalized electron phase and a regime where the electrons localize in cavities devoid of fluid particles. In its absence, the localized states are found to be unstable towards phase separation, in contrast to previous predictions. The Gaussian fluctuations and structure factors derived from this theory suggest the existence of bicontinuous channels percolating through the system. These findings agree qualitatively with experiments and computer simulations.

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Are Models of Anion Hydration Overbound ? The Solvation of the Electron and Chloride Anion Compared

Cited by 2 publications

References 10 publications

Pattern Formation in a Self-Assembled Soap Monolayer on the Surface of Water: A Computer Simulation Study

Pattern Formation in a Self-Assembled Soap Monolayer on the Surface of Water: A Computer Simulation Study

Metal ammonia solutions: A lattice model approach

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