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 X63: Self-Assembly in Diblock and Triblock Copolymers
8:00 AM–10:48 AM,
Friday, March 19, 2021
Sponsoring
Unit:
DPOLY
Chair: Robert Hoy, Univ of South Florida
Abstract: X63.00004 : Simple and Accurate Calibration of the Flory-Huggins Interaction Parameter*
8:36 AM–8:48 AM
Live
Presenter:
James Willis
(Physics & Astronomy, University of Waterloo)
Authors:
James Willis
(Physics & Astronomy, University of Waterloo)
Tom Beardsley
(Physics & Astronomy, University of Waterloo)
Mark W Matsen
(Physics & Astronomy, University of Waterloo)
We improve upon a standard method of determining the Flory-Huggins χ parameter, whereby experimental order-disorder transitions (ODTs) of symmetric diblock polymer melts are fit to the mean-field prediction, (χN)ODT. The improvement is achieved by switching to an accurate prediction of (χN)ODT from Morse and coworkers, supplemented with corrections for the small degrees of polydispersity and compositional asymmetry that inevitably exist in real diblock polymers. The first correction is evaluated by simulating polydisperse diblocks over a wide range of invariant polymerization indices, and the second correction is extracted from analogous simulations for compositionally asymmetric diblocks by Ghasimakbari and Morse. The resulting calibration method is then demonstrated on different chemical pairs, using previously published experimental data. It provides a considerable increase in accuracy, but yet is nearly as simple to apply as the original version.
*This work was supported by NSERC of Canada, and computer resources were provided by Compute Canada.
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