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首页> 外文期刊>The Journal of Chemical Physics >Dissipative particle dynamics simulation study on the binary mixture phase separation cpupled with polymerization
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Dissipative particle dynamics simulation study on the binary mixture phase separation cpupled with polymerization

机译：聚合促进二元混合物相分离的耗散粒子动力学模拟研究

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摘要

The influence of polymerization on the phase separation of binary immiscible mixtures has been investigated by the dissipative particle dynamics simulations in two dimensions. During polymerization, the bulk viscosity increases, which consequently slows down the spinodal decomposition process. The domain size growth is monitored in the simulations. The absence of 2/3 exponent for inertial hydrodynamic mechanism clearly reflects the suppressing effect of polymerization on the phase separation. Due to the increasing viscosity, the individual phase may be trapped in a metastable stage instead of the lamellar morphology identified for symmetric mixtures. Moreover, the polymerization induced phase separation in the binary miscible mixture has been studied. The domain growth is strongly dependent on the polymerization probability, which is naturally related to the activation energy for polymerization. The observed complex phase separation behavior is attributed to the interplay between the increasing thermodynamic driving force for phase separation and the increasing viscosity that suppresses phase separation as the polymerization proceeds.
机译：已通过二维耗散粒子动力学模拟研究了聚合反应对二元不混溶混合物相分离的影响。在聚合过程中，体积粘度增加，因此减慢了旋节线轴的分解过程。在仿真中监视域大小的增长。惯性流体力学机理没有2/3指数清楚地反映了聚合对相分离的抑制作用。由于粘度的增加，单个相可能会陷入亚稳态阶段，而不是为对称混合物识别出层状形态。此外，已经研究了二元可混溶混合物中聚合引发的相分离。畴的增长强烈地取决于聚合概率，这自然与聚合的活化能有关。观察到的复杂相分离行为归因于相分离的热力学驱动力的增加与随着聚合反应进行而抑制相分离的粘度的增加之间的相互作用。

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