Comparing an ionic liquid to a molecular solvent in the cesium cation extraction by a calixarene: A molecular dynamics study of the aqueous interfaces

Article Abstract:

A molecular dynamics (MD) study of the interfacial behavior of key partners involved in the cesium [Cs.sup.+] cation extraction by a calix[4]arene-crown-6 host (L), comparing an ionic liquid (IL) to a classical molecular solvent (chloroform) as receiving oil phase is reported. Simulations on the [Na.sup.+]N[O.sub.3.sup.-] and [Cs.sup.+]N[O.sub.3.sup.-] ions show that they sometimes interact at the interface with IL ions, forming hydrated intimate ion pairs, whereas they are repelled by the classical interface.

Science & research, Industrial Organic Chemicals, Cyclic Crude and Intermediate Manufacturing, Industrial inorganic chemicals, not elsewhere classified, Cesium, Aromatic Hydrocarbons, Research, Molecular dynamics

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M(super 3+) lanthanide chloride complexes in oNeutralo room temperature ionic liquids: a theoretical study

Article Abstract:

The solvation of MCl(sub n)(super 3-n) lanthanide chloride salts is examined by molecular kinetics simulations in two room temperature ionic liquids that are neutral. The results are significant in the comprehension of the solution state of trivalent actinide or lanthanide ions in room temperature ionic liquids.

Primary nonferrous metals, not elsewhere classified, Nonferrous Metals NEC, Analysis, Rare earth metals, Ionic crystals

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