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聚合物添加剂在区域界面处的流体分离:耗散粒子动力学研究

Segregation of fluids with polymer additives at domain interfaces: a dissipative particle dynamics study.

作者信息

Gogoi Dorothy, Chauhan Avinash, Puri Sanjay, Singh Awaneesh

机构信息

School of Physical Sciences, Jawaharlal Nehru University, New Delhi-110067, India.

Department of Physics, Indian Institute of Technology (BHU), Varanasi, Uttar Pradesh-221005, India.

出版信息

Soft Matter. 2023 Aug 30;19(34):6433-6445. doi: 10.1039/d3sm00504f.

Abstract

This paper investigates the phase separation kinetics of ternary fluid mixtures composed of a polymeric component (C) and two simple fluids (A and B) using dissipative particle dynamics simulations with a system dimensionality of = 3. We model the affinities between the components to enable the settling of the polymeric component at the interface of fluids A and B. Thus, the system evolves to form polymer coated morphologies, enabling alteration of the fluids' interfacial properties. This manipulation can be utilized across various disciplines, such as the stabilization of emulsions and foams, rheological control, biomimetic design, and surface modification. We probe the effects of various parameters, such as the polymeric concentration, chain stiffness, and length, on the phase separation kinetics of the system. The simulation results show that changes in the concentration of flexible polymers exhibit perfect dynamic scaling for coated morphologies. The growth rate decreases as the polymeric composition is increased due to reduced surface tension and restricted connectivity between A- and B-rich clusters. Variations in the polymer chain rigidity at fixed composition ratios and degrees of polymerization slow the evolution kinetics of AB fluids marginally, although the effect is more pronounced for perfectly rigid chains. Whereas flexible polymer chain lengths at fixed composition ratios slow down the segregation kinetics of AB fluids slightly, varying the chain lengths of perfectly rigid polymers leads to a significant deviation in the length scale and dynamic scaling for the evolved coated morphologies. The characteristic length scale follows a power-law growth with a growth exponent that shows a crossover from the viscous to the inertial hydrodynamic regime, where the values of depend on the constraints imposed on the system.

摘要

本文采用三维耗散粒子动力学模拟方法,研究了由一种聚合物组分(C)和两种简单流体(A和B)组成的三元流体混合物的相分离动力学。我们对各组分之间的亲和力进行建模,以使聚合物组分在流体A和B的界面处沉降。因此,系统会演变成聚合物包覆形态,从而改变流体的界面性质。这种操作可应用于各个学科,如乳液和泡沫的稳定、流变控制、仿生设计和表面改性。我们探究了各种参数,如聚合物浓度、链刚度和长度,对系统相分离动力学的影响。模拟结果表明,柔性聚合物浓度的变化对包覆形态呈现出完美的动态标度关系。由于表面张力降低以及富A和富B簇之间的连通性受限,随着聚合物组成的增加,生长速率会降低。在固定组成比和聚合度下,聚合物链刚性的变化对AB流体的演化动力学有轻微的减缓作用,尽管对于完全刚性的链这种影响更为明显。而在固定组成比下,柔性聚合物链的长度会略微减缓AB流体的分离动力学,改变完全刚性聚合物的链长度会导致演化后的包覆形态在长度尺度和动态标度上出现显著偏差。特征长度尺度遵循幂律增长,其增长指数显示出从粘性到惯性流体动力学 regime 的转变,其中 的值取决于对系统施加的约束。

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