Universal phenomenology of symmetric diblock copolymers near the order-disorder transition. Medapuram, P., Glaser, J., & Morse, D. C. Macromolecules, 48(3):819–839, 2015. doi abstract bibtex We present a simulation study of how properties of symmetric diblock copolymers depend on the invariant degree of polymerization N̅, focusing on the vicinity of the order–disorder transition (ODT). Results from several coarse-grained simulation models are combined to cover a range of N̅ ≃ 200–8000 that includes most of the experimentally relevant range. Results are presented for the free energy per chain, the value of χeN at the ODT, the latent heat of transition, the layer spacing, the composition profile, and compression modulus in the ordered phase. Universality (i.e., model independence) is demonstrated by showing that equivalent results for all properties are obtained from corresponding thermodynamic states of different simulation models. Corresponding states of symmetric copolymers are states with equal values of the parameters χeN and N̅, where χe is an effective Flory–Huggins interaction parameter and N is a degree of polymerization. The underlying universality becomes apparent, however, only if d...
@article{Medapuram2015,
title = {Universal phenomenology of symmetric diblock copolymers near the order-disorder transition},
volume = {48},
issn = {15205835},
doi = {10.1021/ma5017264},
abstract = {We present a simulation study of how properties of symmetric diblock copolymers depend on the invariant degree of polymerization N̅, focusing on the vicinity of the order–disorder transition (ODT). Results from several coarse-grained simulation models are combined to cover a range of N̅ ≃ 200–8000 that includes most of the experimentally relevant range. Results are presented for the free energy per chain, the value of χeN at the ODT, the latent heat of transition, the layer spacing, the composition profile, and compression modulus in the ordered phase. Universality (i.e., model independence) is demonstrated by showing that equivalent results for all properties are obtained from corresponding thermodynamic states of different simulation models. Corresponding states of symmetric copolymers are states with equal values of the parameters χeN and N̅, where χe is an effective Flory–Huggins interaction parameter and N is a degree of polymerization. The underlying universality becomes apparent, however, only if d...},
number = {3},
journal = {Macromolecules},
author = {Medapuram, Pavani and Glaser, Jens and Morse, David C.},
year = {2015},
pages = {819--839},
}
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