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Communication: Density-functional theory for inhomogeneous hyperbranched polymeric fluids: Polydisperse effect of degree of branching

机译:交流:非均相超支化聚合物流体的密度泛函理论:支化度的多分散效应

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摘要

We developed a new density-functional theory (DFT) for inhomogeneous hyperbranched polymers that is able to describe the polydisperse degree of branching quantitatively. The topological contributions of the polymer chains to the Helmholtz free energy take into account the effect of triple connections that are absent in previous DFT investigations. One key advantage of the new theory is that the computational cost shows only a linear relationship with the molecular weight (rather than an exponential relationship). The practical utility of the new DFT is illustrated by investigating colloidal stability in the presence of monodisperse and polydisperse hyperbranched polymers.
机译:我们为非均相超支化聚合物开发了一种新的密度泛函理论(DFT),该理论能够定量描述分支的多分散度。聚合物链对亥姆霍兹自由能的拓扑贡献考虑了以前的DFT研究中不存在的三重连接的影响。新理论的一个主要优点是计算成本仅显示出与分子量的线性关系(而不是指数关系)。通过研究在单分散和多分散超支化聚合物存在下的胶体稳定性来说明新型DFT的实际实用性。

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