Correlated Ion Transport and the Gel Phase in Room Temperature Ionic Liquids
نویسندگان
چکیده
Here we present a theory of ion aggregation and gelation room temperature ionic liquids (RTILs). Based on it, investigate the effect correlated transport—ionic conductivity transference numbers—obtaining closed-form expressions for these quantities. The depends maximum number associations cation anion can form strength their association. To validate presented theory, perform molecular dynamics simulations several RTILs range temperatures one RTIL. indicate formation large clusters, even percolating through system under certain circumstances, thus forming gel, with accurately describing obtained cluster distributions in all cases. However, based lifetime simulated RTILs, expect free ions to dominate despite presence do not trigger structural arrest
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ژورنال
عنوان ژورنال: Journal of Physical Chemistry B
سال: 2021
ISSN: ['1520-6106', '1520-5207']
DOI: https://doi.org/10.1021/acs.jpcb.0c09050