Catalytic chemical recycling of post-consumer polyethylene

A Arroyave, S Cui, JC Lopez, AL Kocen… - Journal of the …, 2022 - ACS Publications
Among commercial plastics, polyolefins are the most widely produced worldwide but have
limited recyclability. Here, we report a chemical recycling route for the conversion of post …

Molecular Details of the “Catalytic Effect” of Long Chains on Short Chains in Stretch-Induced Polymer Crystallization

J Wen, J Yang, M Kröger, M Ma, T Hao, Z Zhou… - …, 2024 - ACS Publications
Using molecular dynamics simulation, strain-induced crystallization of polyethylene blends
containing long and short chains was investigated. It was found that both long and short …

Effects of polymerization parameters on the slow crack growth resistance and rheological properties of bimodal polyethylene resins

MH Jandaghian, Y Maddah, A Sepahi… - Journal of Applied …, 2022 - Wiley Online Library
In this paper, using a comprehensive study, we have investigated the effect of various
polymerization parameters during the synthesis of bimodal polyethylene resins on their …

Molecular dynamics simulation of strained controlled gas diffusion in polyimide membranes

S Deng, G Luo, Z Chai, Z Li, Y Sun, F Huan… - Materials Today …, 2024 - Elsevier
The study of the diffusion and separation performance of small molecules within polyimide
membranes under uniaxial stress is crucial for their applications under high-temperature …

Molecular dynamic simulation of polyethylene chain at different temperatures and pressures

C Sun, C Hou, Y Zhang - Sustainable Energy Technologies and …, 2022 - Elsevier
Polyethylene plays important roles in human lives all over the world due to its good
properties and wide applications. In this study, polyethylene chains under different …

Branches, Tie Chains and Entanglements in Bimodal Polyethylene Single Crystals under Uniaxial Tensile Strain

WS Fall, J Baschnagel, H Meyer - arXiv preprint arXiv:2409.08399, 2024 - arxiv.org
Using coarse-grained molecular dynamics simulations and a united-monomer model of PE,
single well-aligned multi-lamella PE crystals grown in previous work [ACS Macro Letters 12 …

Interplay between hydrogen bond network and entangled network in polymers during stretching based on molecular simulations

JL Wen, YQ Ming, AF Zhang, JL Li, XY Du… - Chinese Journal of …, 2024 - Springer
Mechanical properties of polymers can be regulated by changing the numbers of hydrogen
bonds and entanglement points. However, the interplay between hydrogen bond network …

Molecular dynamic simulations of deformation behaviour of blended polyethylene

J Shi, J Zhou, L Liu, W Liu, C Miao - Molecular Simulation, 2023 - Taylor & Francis
The tensile deformation behaviour of blended polyethylene (PE) was studied using
molecular dynamic methods. The blended PE was modeled by blending linear chains with …

Unraveling the Mechanical Response of Short-Chain Branched Amorphous Polyethylene: Insights from Molecular Dynamics Simulations

J Shi, J Zhou, L Liu, C Miao - Journal of Macromolecular Science …, 2024 - Taylor & Francis
The deformation behavior of short-chain branched, amorphous polyethylene (PE) was
investigated using united atom molecular dynamics (MD) simulations under uniaxial …

Mechanisms of the improved stiffness of flexible polymers under impact loading

F Chen, J Fan, D Hui, C Wang, F Yuan… - Nanotechnology …, 2022 - degruyter.com
The flexible polymers have an outstanding impact-resistant performance because of the
improved stiffness upon a high speed loading. At the aspect of microstructure, the soft …