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The effect of pressure on the microphase separation of diblock copolymer melts studied by dynamic density functional theory based on equation of state

机译:基于状态方程的动态密度泛函理论研究压力对二嵌段共聚物熔体微相分离的影响

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摘要

The effect of pressure on the microphase separation of diblock copolymer melts was investigated by dynamic density functional theory based on equation of state. The results correspond well with experiment data. With the application of high pressure, all of the phase regions corresponding to the different ordered morphologies become narrower. However, the pressure dependence of the order-disorder transition temperature (T-ODT) relies on the symmetry of the diblock copolymer. In the very nonsymmetrical case when f is small, T-ODT decreases with increasing pressure, while in the symmetrical case when f = 0.5, T-ODT increases with increasing pressure. For the latter case, the increase in the total bead number of the system at the ODT is found, which is in good accordance with the experimental phenomenon that there is an increase in volume accompanying with the transition from ordered to disordered state. In contrast to the temperature, the pressure does not influence the starting time and the duration of microphase separation.
机译:基于状态方程,通过动态密度泛函理论研究了压力对二嵌段共聚物熔体微相分离的影响。结果与实验数据吻合良好。随着高压的施加,对应于不同有序形态的所有相区域变得更窄。然而,有序-无序转变温度(T-ODT)的压力依赖性取决于二嵌段共聚物的对称性。在非常小的非对称情况下,当f较小时,T-ODT随着压力的增加而降低,而在对称情况下,当f = 0.5时,T-ODT随着压力的增加而增加。对于后一种情况,发现在ODT处系统的总珠数增加,这与实验现象相符,即随着从有序状态到无序状态的转变,体积会增加。与温度相反,压力不影响微相分离的开始时间和持续时间。

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