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星型多臂聚合物的分离动力学:耗散粒子动力学研究

Segregation kinetics of miktoarm star polymers: A dissipative particle dynamics study.

作者信息

Gogoi Dorothy, Puri Sanjay, Chauhan Avinash, Singh Awaneesh

机构信息

School of Physical Sciences, <a href="https://ror.org/0567v8t28">Jawaharlal Nehru University</a>, New Delhi 110067, India.

Department of Physics, <a href="https://ror.org/01kh5gc44">Indian Institute of Technology (BHU)</a>, Varanasi, Uttar Pradesh 221005, India.

出版信息

Phys Rev E. 2024 Sep;110(3-1):034504. doi: 10.1103/PhysRevE.110.034504.

Abstract

We study the phase separation kinetics of miktoarm star polymer (MSP) melts/blends with diverse architectures using dissipative particle dynamics simulation. Our study focuses on symmetric and asymmetric miktoarm star polymer (SMSP/AMSP) mixtures based on arm composition and number. For a fixed MSP chain size, the characteristic microphase-separated domains initially show diffusive growth with a growth exponent ϕ∼1/3 for both melts that gradually crossover to saturation at late times. The simulation results demonstrate that the evolution morphology of SMSP melt exhibits perfect dynamic scaling with varying arm numbers; the timescale follows a power-law decay with an exponent θ≃1 as the number of arms increases. The structural constraints on AMSP melts cause the domain growth rate to decrease as the number of one type of arms increases while their length remains fixed. This increase in the number of arms for AMSP corresponds to increased off-criticality. The saturation length in AMSP follows a power-law increase with an exponent λ≃2/3 as off-criticality decreases. Additionally, macrophase separation kinetics in SMSP/AMSP blends show a transition from viscous (ϕ∼1) to inertial (ϕ∼2/3) hydrodynamic growth regimes at late times; this exhibits the same dynamical universality class as linear polymer blends, with slight deviations at early stages.

摘要

我们使用耗散粒子动力学模拟研究了具有不同结构的多臂星形聚合物(MSP)熔体/共混物的相分离动力学。我们的研究重点是基于臂的组成和数量的对称和不对称多臂星形聚合物(SMSP/AMSP)混合物。对于固定的MSP链尺寸,特征微相分离域最初表现出扩散生长,两种熔体的生长指数ϕ1/3,在后期逐渐过渡到饱和。模拟结果表明,SMSP熔体的演化形态随臂数的变化呈现出完美的动态标度;随着臂数的增加,时间尺度遵循幂律衰减,指数θ≃1。AMSP熔体的结构限制导致当一种臂的数量增加而其长度保持固定时,域生长速率降低。AMSP臂数的增加对应于偏离临界状态的增加。随着偏离临界状态的降低,AMSP中的饱和长度遵循幂律增加,指数λ≃2/3。此外,SMSP/AMSP共混物中的宏观相分离动力学在后期显示出从粘性(ϕ1)到惯性(ϕ~2/3)流体动力学生长模式的转变;这与线性聚合物共混物表现出相同的动力学普适类,在早期有轻微偏差。

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