@article{
 title = {Communication: Kinetic and pairing contributions in the dielectric spectra of electrolyte solutions},
 type = {article},
 year = {2014},
 identifiers = {[object Object]},
 volume = {140},
 month = {6},
 id = {4951f119-e04e-37cd-a49c-0319072f3f7a},
 created = {2016-08-17T16:18:59.000Z},
 file_attached = {true},
 profile_id = {9fc609d9-18e5-3e4d-b123-05a6baa25251},
 last_modified = {2016-08-17T17:26:48.000Z},
 read = {false},
 starred = {false},
 authored = {true},
 confirmed = {true},
 hidden = {false},
 citation_key = {ISI:000337108900001},
 source_type = {article},
 folder_uuids = {72108fbb-6faa-4023-aeea-d4bf07fcc37f},
 abstract = {In the late 1970s, Hubbard and Onsager predicted that adding salt to a polar solution would result in a reduced dielectric permittivity that arises from the unexpected tendency of solvent dipoles to align opposite to the applied field. Here we develop a novel non-equilibrium molecular dynamics simulation approach to determine this decrement accurately. Using a thermodynamic consistent all-atom force field we show that for an aqueous solution containing sodium chloride around 4.8 mol/l, this effect accounts for 12% of the total dielectric permittivity. The dielectric decrement can be strikingly different if a less accurate force field for the ions is used. Using the widespread GROMOS parameters, we observe in fact an increment of the dielectric permittivity rather than a decrement, caused by ion pairing and introduced by a too low dispersion force. (C) 2014 AIP Publishing LLC.},
 bibtype = {article},
 author = {Sega, M. and Kantorovich, S. S. and Holm, C. and Arnold, A.},
 journal = {JOURNAL OF CHEMICAL PHYSICS},
 number = {21}
}

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