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Spatial‐Decomposition Analysis of Electrical Conductivity
Author(s) -
Matubayasi Nobuyuki
Publication year - 2019
Publication title -
the chemical record
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.61
H-Index - 78
eISSN - 1528-0691
pISSN - 1527-8999
DOI - 10.1002/tcr.201800116
Subject(s) - conductivity , ion , decomposition , chemistry , aqueous solution , correlation function (quantum field theory) , electrical resistivity and conductivity , function (biology) , radial distribution function , chemical physics , computational chemistry , physics , molecular dynamics , quantum mechanics , organic chemistry , dielectric , evolutionary biology , biology
Spatial decomposition is conducted for the electrical conductivity. The contribution per ion pair at a certain distance is identified in terms of a two‐body velocity time correlation function and is integrated over the whole distance of the ion pair to provide the cross‐correlation term of the conductivity. The spatial‐decomposition formula is an exact expression at any concentrations of ions and incorporates physically appealing pictures in the space domain into the theory of time correlation functions. Illustrative analyses are presented for 1 m NaCl aqueous solution and the [C 4 mim][NTf 2 ] ionic liquid. The contrast between the two systems is discussed for the time and spatial ranges of correlations, and it is shown that the ion‐pair contribution to the conductivity for the [C 4 mim][NTf 2 ] system is not localized and extends beyond the first coordination shell of the cation‐anion pair.