Influence of ion size and charge in ion transfer processes across a liquid/liquid interface

Article Abstract:

Research is presented concerning the study of organic ions, alkaline-earth ions, and alkaline ions transferring across a water/2-heptanone interface. Molecular dynamics simulations and the potentials of mean force are calculated.

Ions, Chemistry, Physical and theoretical, Physical chemistry, Solvation

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Molecular dynamics simulation of the water/2-heptanone liquid-liquid interface

Article Abstract:

Research was conducted to examine the structural and dynamic properties of the water/2-heptanone (HPT2) liquid/liquid interface using molecular dynamics simulations. HPT2 was observed to form a bilayer structure at the interface, pointing its polar heads into the aqueous phase. Results demonstrate that the water/HPT2 interface is molecularly sharp and very corrugated by capillary waves. The reverse situation, a broad interface, with a gradual composition change, has never been observed in computer simulated systems.

Water, Liquids, Charge transfer, Properties

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Molecular dynamics study of the transfer of iodide across two liquid/liquid interfaces

Article Abstract:

The properties of two liquid/liquid interfaces, the H2O/2-heptanone and the H2O/iso-octane interfaces, have been investigated. The exchange of the hydrophilic nature of the organic solvent has only a limit impact on the basic properties of the interface.

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