Department of Chemistry, School of Science, Tianjin University, Tianjin 300350, China
xhhe@tju.edu.cn
收稿:2022-08-13,
修回:2022-9-20,
录用:2022-9-22,
网络首发:2022-11-18,
纸质出版:2023-06-01
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Zhang, Q.; He, X. H. Phase separation of polymer blends induced by an external static electric field. Chinese J. Polym. Sci. 2023, 41, 972–980
Qian Zhang, Xue-Hao He. Phase Separation of Polymer Blends Induced by an External Static Electric Field[J]. Chinese Journal of Polymer Science, 2023, 41(6): 972-980.
Zhang, Q.; He, X. H. Phase separation of polymer blends induced by an external static electric field. Chinese J. Polym. Sci. 2023, 41, 972–980 DOI: 10.1007/s10118-022-2877-z.
Qian Zhang, Xue-Hao He. Phase Separation of Polymer Blends Induced by an External Static Electric Field[J]. Chinese Journal of Polymer Science, 2023, 41(6): 972-980. DOI: 10.1007/s10118-022-2877-z.
Using a modified coarse-grained polarizable model
we demonstrate that the electric field effect originates from the energy changes of intramolecular polarization
intermolecular van der Waals and Coulomb interactions induced by the external electric field. A method is proposed to predict the phase separation temperature under electric field.
The mechanism of the phase separation of polymer blends in the presence of a static electric field was investigated using the molecular dynamics with a modified coarse-grained polarizable model. Two electric field effects
i.e.
the promotion and hindrance of the phase separation
were found in the system of the upper critical solution temperature (UCST) by varying the dielectric properties of polymer components. Our simulation directly demonstrated that the electric field effects originate from the energy changes of intramolecular unit polarization
intermolecular van der Waals (VDW) and Coulomb interactions induced by the external electric field. The relationship of the energy change and the dielectric constant for the system under electric field is obtained. The interface orientation under electric field was found to happen even before the transition point of phase separation. By assuming that the relative order parameter of the phase separation undergoes the same fluctuations for a system with and without an electric field
the transition temperature under an electric field can be predicted
and quantitative consistency with simulations is obtained.
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