Bulletin of the American Physical Society
APS March Meeting 2021
Volume 66, Number 1
Monday–Friday, March 15–19, 2021; Virtual; Time Zone: Central Daylight Time, USA
Session P03: Dynamics and Rheology of Polymers and Polyelectrolytes I
3:00 PM–5:48 PM,
Wednesday, March 17, 2021
Sponsoring
Units:
DPOLY DSOFT GSNP DBIO
Chair: Vivek Sharma, University of Illinois at Chicago
Abstract: P03.00005 : Model for flow-induced crystallization of industrial-grade LLDPEs
3:48 PM–4:00 PM
Live
Presenter:
Marat Andreev
(Massachusetts Institute of Technology MIT)
Authors:
Marat Andreev
(Massachusetts Institute of Technology MIT)
David A Nicholson
(Massachusetts Institute of Technology MIT)
Gregory Rutledge
(Massachusetts Institute of Technology MIT)
Anthony Kotula
(National Institute of Standards and Technology)
Kenneth Kearns
(The Dow Chemical Company)
Jonathan Moore
(The Dow Chemical Company)
Jaap den Doelder
(Dow Benelux NV)
In this work, we combine information from atomistic molecular dynamics simulations, mesoscale slip-link modeling, rheo-Raman measurements and fast scanning chip calorimetry to build a model for flowing LLDPE melts undergoing crystallization. Analysis of non-equilibrium molecular dynamics simulations motivate the use of the conformation tensor as a suitable order parameter with which to correlate FIC. The conformation tensor can be tracked during flow using a mesoscale computational model that incorporates the physics of slip-links, cross-links and suspensions to capture linear viscoelasticity and its dependence on polydispersity, entanglement dynamics and crystallinity. Crystallinity in turn evolves according to a kinetic model that depends on the conformation tensor. The combination of models is parametrized from the experimental rheo-Raman and calorimetry data and is shown to be suitable for multi-level modeling of an industrial blown-film process.
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