Experiments and Modeling of Flow-Enhanced Nucleation in LLDPE
Name
jp-2022-03460g_ms-clean.pdf
Description
Accepted version
Size
2.21 MB
Format
Adobe PDF
Checksum (MD5)
8c6b56d97d9a4d65aef662726a2dd414
Author(s)
Nicholson, David A
Andreev, Marat
Kearns, Kenneth L
Chyasnavichyus, Marius
Monaenkova, Daria
Moore, Jonathan
den Doelder, Jaap
Rutledge, Gregory C
Date Issued
August 23, 2022
Journal
The Journal of Physical Chemistry B
Publisher
American Chemical Society
Citation
Experiments and Modeling of Flow-Enhanced Nucleation in LLDPE. David A. Nicholson, Marat Andreev, Kenneth L. Kearns, Marius Chyasnavichyus, Daria Monaenkova, Jonathan Moore, Jaap den Doelder, and Gregory C. Rutledge.
The Journal of Physical Chemistry B 2022 126 (34), 6529-6535.
Version
Author's final manuscript
Abstract
A computational and experimental framework for quantifying flow-enhanced nucleation (FEN) in polymers is presented and demonstrated for an industrial-grade linear low-density polyethylene (LLDPE). Experimentally, kinetic measurements of isothermal crystallization were performed by using fast-scanning calorimetry (FSC) for melts that were presheared at various strain rates. The effect of shear on the average conformation tensor of the melt was modeled with the discrete slip-link model (DSM). The conformation tensor was then related to the acceleration in nucleation kinetics by using an expression previously validated with nonequilibrium molecular dynamics (NEMD). The expression is based on the nematic order tensor of Kuhn segments, which can be obtained from the conformation tensor of entanglement strands. The single adjustable parameter of the model was determined by fitting to the experimental FSC data. This expression accurately describes FEN for the LLDPE, representing a significant advancement toward the development of a fully integrated processing model for crystallizable polymers.
MIT Department
Massachusetts Institute of Technology. Department of Chemical Engineering
Terms of Use
Article is made available in accordance with the publisher's policy and may be subject to US copyright law. Please refer to the publisher's site for terms of use.
Persistent DSpace Link
DOI of Published Version
10.1021/acs.jpcb.2c03460
