On the order-disorder transition of compressible diblock copolymer melts
Abstract
We performed both the fast off-lattice Monte Carlo simulations of symmetric diblock copolymers (DBC) in an isothermal-isobaric ensemble and the self-consistent field calculations of asymmetric DBC to properly determine the order-disorder transition (ODT) of a model system of compressible DBC melts used in the literature when it is a first-order phase transition, and studied for the first time the co-existence of the two phases at ODT. We found that the co-existing region is quite small and decreases as the system becomes less compressible, which justifies the previous ODT results obtained by equating the Helmholtz free energy per chain of the two phases. We also found that for the most compressible system where there is no repulsion between the same type of segments, the self-consistent field theory predicts that ODT is a second-order phase transition even for asymmetric DBC melts due to its mean-field approximation.
- Authors:
-
- Colorado State Univ., Fort Collins, CO (United States)
- Publication Date:
- Research Org.:
- Colorado State Univ., Fort Collins, CO (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1469644
- Alternate Identifier(s):
- OSTI ID: 1225768
- Grant/Contract Number:
- FG02-07ER46448
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Journal of Chemical Physics
- Additional Journal Information:
- Journal Volume: 143; Journal Issue: 18; Journal ID: ISSN 0021-9606
- Publisher:
- American Institute of Physics (AIP)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 74 ATOMIC AND MOLECULAR PHYSICS
Citation Formats
Zong, Jing, and Wang, Qiang. On the order-disorder transition of compressible diblock copolymer melts. United States: N. p., 2015.
Web. doi:10.1063/1.4934992.
Zong, Jing, & Wang, Qiang. On the order-disorder transition of compressible diblock copolymer melts. United States. https://doi.org/10.1063/1.4934992
Zong, Jing, and Wang, Qiang. Wed .
"On the order-disorder transition of compressible diblock copolymer melts". United States. https://doi.org/10.1063/1.4934992. https://www.osti.gov/servlets/purl/1469644.
@article{osti_1469644,
title = {On the order-disorder transition of compressible diblock copolymer melts},
author = {Zong, Jing and Wang, Qiang},
abstractNote = {We performed both the fast off-lattice Monte Carlo simulations of symmetric diblock copolymers (DBC) in an isothermal-isobaric ensemble and the self-consistent field calculations of asymmetric DBC to properly determine the order-disorder transition (ODT) of a model system of compressible DBC melts used in the literature when it is a first-order phase transition, and studied for the first time the co-existence of the two phases at ODT. We found that the co-existing region is quite small and decreases as the system becomes less compressible, which justifies the previous ODT results obtained by equating the Helmholtz free energy per chain of the two phases. We also found that for the most compressible system where there is no repulsion between the same type of segments, the self-consistent field theory predicts that ODT is a second-order phase transition even for asymmetric DBC melts due to its mean-field approximation.},
doi = {10.1063/1.4934992},
journal = {Journal of Chemical Physics},
number = 18,
volume = 143,
place = {United States},
year = {Wed Nov 11 00:00:00 EST 2015},
month = {Wed Nov 11 00:00:00 EST 2015}
}
Web of Science
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