Computational study of the structural properties of recycled low-density polyethylene

被引：2

作者：

Yaghini, Nazila ^{[1
,2
]}

Tuinier, Remco ^{[1
,2
]}

den Doelder, Jaap ^{[1
,2
,3
]}

机构：

[1] Eindhoven Univ Technol, Lab Phys Chem, Dept Chem Engn & Chem, POB 513, NL-5600 MB Eindhoven, Netherlands

[2] Eindhoven Univ Technol, Inst Complex Mol Syst, POB 513, NL-5600 MB Eindhoven, Netherlands

[3] Dow Benelux BV, Packaging & Specialty Plast R&D, POB 48, NL-4530 AA Terneuzen, Netherlands

来源：

POLYMER | 2022年 / 241卷

关键词：

Branching distribution; Kinetics; Molecular modeling; Molecular weight distribution; Thermal degradation; MOLECULAR-WEIGHT; BRANCHING DISTRIBUTION; RADICAL POLYMERIZATION; SCISSION; DISTRIBUTIONS; MODEL;

D O I：

10.1016/j.polymer.2022.124525

中图分类号：

O63 [高分子化学（高聚物）];

学科分类号：

070305 ; 080501 ; 081704 ;

摘要：

We present a comprehensive model to computationally study molecular structure development in the recycling extrusion process of low-density polyethylene (LDPE) and provide initial results versus reported experiments as guidance. Molecular weight distribution (MWD) and branching distribution (BD) are modeled by applying a combination of population balance modeling, the method of moments and branching pseudo distributions. Special cares have been taken to incorporate the effects of scission and crosslinking reactions. Further, effective strategies have been provided to mitigate the computational complexity of solving balance equations. The models have been applied to the case of increasing residence time in a recycling extruder. The simulated MWD of the recycled LDPE exhibits a shift towards lower chain lengths for residence times up to 400s, while for higher residence times the high MW tail forms. The evolution of the simulated BD during recycling reveals important modifications versus the original virgin LDPE with implications for derived properties.

引用

页数：11