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Modified dielectric permittivity models for binary liquid mixture
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DOI：10.1016/j.molliq.2018.12.149.png)
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摘要
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Twelve dielectric permittivity models were modified to evaluate intermolecular interactions. Selected binary mixtures at different temperatures were analyzed. Great decrease in RMSD values and large improvement percentage confirms enhancement of the models. Interaction parameter can be interpreted as a measure of intermolecular interaction variations. As the temperature rises, the interaction parameter decreases. For systems containing family of related constituents, variations of interaction parameters are more consistent and develop structure property relationship. The results confirm that contribution of mixing volume change into the dielectric permittivity of mixture is insignificant The modified models have descriptive characteristics, are suitable for describing the systems behavior. They can predict dielectric permittivity of binary liquid mixture if embedded parameters are determined. (C) 2019 Elsevier B.V. All rights reserved.
Keyword:
Dielectric permittivity
Binary mixture
Model improvement
Interaction parameter
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