Details

Autor(en) / Beteiligte

• Taheri, Ahmad Reza
• Najafi, Mohammad
• Motahari, Siamak

Titel

Prediction of branch on branch and topological characteristics of low‐density polyethylene polymerization by a novel stochastic approach

Ist Teil von

• Polymers for advanced technologies, 2020-05, Vol.31 (5), p.1067-1076

Ort / Verlag

Chichester, UK: John Wiley & Sons, Ltd

Erscheinungsjahr

2020

Quelle

Wiley Online Library Journals Frontfile Complete

Beschreibungen/Notizen

• A novel approach using Monte Carlo method applied to simulation of low‐density polyethylene (LDPE) polymerization in tubular reactor showing topological characteristics, and the comprehensive kinetic mechanism has been taken into consideration. The results show the precise details of the structure of a chain in the three levels of the backbone, the main branches, and branches on branch. The chain types include dead polymer, dead polymer with unsaturated end, and live polymer with primary radical, secondary radical, and tertiary radical. In this work, the branches on branch were identified in terms of number, length, and position of the branch. Sixty percent of branches on branch are 1 to 5 carbons long, and the longest branch on branch is about 50 carbons. Thus, this study provides a tool for more accurately mapping the polymer chains architecture, superior to determine the number, and position of long‐ and short‐chain branches in past researches. Finally, this approach will advance the prediction of microstructure‐related properties of polymer one step further.