Read Daniel J, McIlroy Claire, Das Chinmay, Harlen Oliver G, Graham Richard S
School of Mathematics, University of Leeds, Leeds LS2 9JT, United Kingdom.
School of Mathematics and Physics, University of Lincoln, Lincoln LN6 7TS, United Kingdom.
Phys Rev Lett. 2020 Apr 10;124(14):147802. doi: 10.1103/PhysRevLett.124.147802.
We develop a thermodynamic continuum-level model, polySTRAND, for flow-induced nucleation in polymers suitable for use in computational process modeling. The model's molecular origins ensure that it accounts properly for flow and nucleation dynamics of polydisperse systems and can be extended to include effects of exhaustion of highly deformed chains and nucleus roughness. It captures variations with the key processing parameters, flow rate, temperature, and molecular weight distribution. Under strong flow, long chains are over-represented within the nucleus, leading to superexponential nucleation rate growth with shear rate as seen in experiments.
我们开发了一种热力学连续介质水平模型polySTRAND，用于聚合物中的流动诱导成核，适用于计算过程建模。该模型的分子起源确保它能正确考虑多分散体系的流动和成核动力学，并且可以扩展到包括高度变形链的耗尽和核粗糙度的影响。它捕捉了关键加工参数（流速、温度和分子量分布）的变化。在强流动下，长链在核内占比过高，导致成核速率随剪切速率呈超指数增长，这与实验结果一致。
