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.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2006
User Contributions:
Comment about this article or add new information about this topic:
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.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2005
User Contributions:
Comment about this article or add new information about this topic:
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.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2006
User Contributions:
Comment about this article or add new information about this topic:
- Abstracts: Structure of liquid formic acid investigated by first principle and classical molecular dynamics simulations. Effect of the range of interaction on the properties of fluids. 2. Structure and phase behavior of acetonitrile, hydrogen fluoride, and formic acid
- Abstracts: Kinetic insights into the role of the solvent in the polymorphism of 5-fluorouracil from molecular dynamics simulations
- Abstracts: Synthesis and characterization of highly ordered Ni-MCM-41 mesoporous molecular sieves. Isolation and characterization of C60F38. Loss of aromaticity on F2 addition to C60F36
- Abstracts: Adsorption of fumaramide [2]rotaxane and its components on a solid substrate: A coverage-dependent study. Intraresidue distribution of energy in proteins
- Abstracts: Five current peaks in voltammograms for oxidations of formic acid, formaldehyde and methanol on platinum. Potential oscillations in galvanostatic electrooxidation of formic acid on platinum: A time-resolved surface-enhanced infrared study