The ionic liquids research community has made great progress in understanding the bulk structural organization of ionic liquid using a combination of scattering (X-ray and neutron) experiments and molecular simulations. Quantitative agreement between the measured and computed liquid structure factors <i>S</i>(<i>q</i>) can now routinely be obtained using non-polarizable classical force fields. Meanwhile, an array of experiments have been providing detailed structural information at the IL-vacuum and IL-solid interfaces, where the local organization of ions can change rather dramatically from the bulk structure. This talk will present some of our most recent results on ILs with domain-disrupting functional groups, with the bulk molecular dynamics simulations extended to include IL-vacuum and IL-solid interfaces.

Ionic liquid structure in bulk and at interfaces

255th National Meeting (2018)

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