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    ZHU Zheng-hao, XU Zhen-liang, WEI Yong-ming, XU Hai-tao. Calculation of Solubility Parameters of Polymers Based on COSMO-SAC Model[J]. Journal of Functional Polymers, 2015, 28(3): 234-241.
    Citation: ZHU Zheng-hao, XU Zhen-liang, WEI Yong-ming, XU Hai-tao. Calculation of Solubility Parameters of Polymers Based on COSMO-SAC Model[J]. Journal of Functional Polymers, 2015, 28(3): 234-241.

    Calculation of Solubility Parameters of Polymers Based on COSMO-SAC Model

    • Several Flory-Huggins interaction parameters between polymeric membrane materials and different solvents were calculated based on COSMO-SAC model. The Hildebrand solubility parameter and the Hansen solubility parameter were obtained based on the relationship between solubility parameter and interaction parameter, which were calculated by linear fitting and least square methods respectively. Compared with bibliography data, the calculated results of Hildebrand solubility parameter witnessed relative deviations from 2.44% to 17.31%, with an average of 10.13%. The relative deviations became smaller (ranging from 1.66% to 13.60% with an average of 6.64%) when correction factor α was 0.6. When correction factor was 1, the relative deviations of Hansen solubility parameter were comparatively larger, ranging from 5.56% to 19.77% with an average of 12.62%. The relative deviations of the dispersion and dipole components were smaller but the relative deviation of the hydrogen bond component was bigger, when correction factor was 0.6.
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