Surfactant behavior of "Ellipsoidal" dicarbollide anions: A molecular dynamics study

Article Abstract:

A study was conducted about a molecular dynamics of cobalt bis(dicarbollide) anions commonly used in liquid-liquid extraction (X = H, Me, Cl, or Br) to show that these anions, although lacking the amphiphilic topology, behave as anionic surfactants. The highly hydrophilic E[u.sup.3+] or U[O.sub.2.sup.2+] cations that are generally repelled by aqueous interfaces are attracted by dicarbollides near the interface, which is crucial as far as the mechanism of assisted cation extraction to the oil phase is concerned.

Surface active agents, Surface Active Agent Manufacturing, Anions, Properties, Structure

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Aqueous interfaces with hydrophobic room-temperature ionic liquids: A molecular dynamics study

Article Abstract:

A molecular dynamics study of the interface between water and water-immiscible room-temperature ionic liquids composed of PF6(super -) anions and butyl versus octyl-substituted methylimidazolium(super +) cations is reported. The results provide a better understanding of the specificity of the aqueous interfaces with hydrophobic ionic liquids, compared with classical organic solvents, which has important implications as far as the mechanism of liquid-liquid ion extraction is concerned.

Science & research, Research, Aqueous solution reactions, Hydrophobic effect

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The [BMI][[Tf.sub.2]N] ionic liquid/water binary system: A molecular dynamics study of phase separation and of the liquid-liquid interface

Article Abstract:

The molecular dynamics (MD) simulations of the aqueous interface of the hydrophobic [BMI][[Tf.sub.2]N] ionic liquid (IL), composed of 1-butyl-3-methylimidazolium cations ([BMI.sup.+]) and bis(trifluoromethylsulfonyl)-imide anions ([Tf.sub.2][N.sup.-]), is reported. The results have helped in understanding the analogies and differences of aqueous interfaces with hydrophobic ILs, compared to classical organic liquids.

Industrial Organic Chemicals, Cyclic Crude and Intermediate Manufacturing, Imidazole, Ionic solutions

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