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A Research Agenda for Transforming Separation Science (2019) / Chapter Skim
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Appendix C: Examples of Characterization
Pages 91-98

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From page 91...
... . A recent study hints at the power of a multicompeting roles of chloride, thiocyanate, and nitrate anions modal approach to surface studies; it combines x-ray surface for complexation with Sm and Co were determined by com- techniques with sum frequency generation to reveal the surparing the coordination environments of these metals after face-water structure in a system related to solvent extraction extraction into the ionic liquid.
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From page 92...
... For example, three-dimensional cently, those techniques were extended into the more chalcrystal truncation rod x-ray scattering techniques with sup- lenging case of far-from-equilibrium conditions, revealporting ab initio molecular dynamics simulations based on ing how interfacial atomic structure responds to changes density functional theory have disentangled relationships in electrostatic potential and adsorbed ion distributions between time-averaged interfacial atomic structure and dy- (McBriarty et al., 2018)
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From page 93...
... Understanding of the LLI could second hydration spheres, and it is possible to identify three affect the effectiveness and utility of liquid–liquid extraction, types of water molecules around them on the basis of their supported liquid membranes, emulsion liquid membranes, orientational structures and hydrogen bonding strengths. polymer-inclusion membranes, membrane electrodes, mem- Those results have important implications for relating interbrane-assisted solvent extraction, two-phase aqueous extrac- facial water structure and hydration enthalpy to the general tion, and extraction chromatography.
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From page 94...
... were used to measure the total interaction force with an oriented opposing substrate as a function of azimuthal angle (middle) and then compared directly with potentials of mean force computed by using molecular dynamics simulations (right)
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From page 95...
... NMR has provided information on dynamic processes Researchers have combined x-ray absorption spectroscopy and, although the technique is limited to slower time scales (to understand the role of metal coordination) with SANS and the structural information is indirect, its potential effect data to observe the role of the counterion on ionic liquid- is apparent (Witherspoon et al., 2018)
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From page 96...
... Advanced Functional Materials 28:1705618. speed atomic force microscopy to real-time visualiza doi: 10.1002/adfm.201705618.
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From page 97...
... 2014. Deconstructing hydrogen-bond networks in con- Accessing crystal–crystal interaction forces with oriented fined nanoporous materials: Implications for alcohol– nanocrystal atomic force microscopy probes.
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Key Terms

  • molecular dynamics
  • solvent extraction
  • separation science
  • atomic force
  • atomic scale

  • dynamics simulations
  • operando conditions
  • force microscopy
  • atomic structure
  • scattering techniques

  • extractant molecules
  • structural dynamics
  • interfacial structure
  • interfacial forces
  • interfacial atomic

  • initio molecular
  • molecular simulations
  • interaction force
  • ionic liquids
  • interface structure

  • organic phase
  • dynamic processes
  • inverted bilayer
  • liquid membranes
  • potential effect

  • structural information
  • stability constants
  • aqueous phase
  • ligand exchange
  • solid surfaces


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