Analysis of the static properties of cluster formations in symmetric linear multiblock copolymers

Nikolaos G. Fytas, P. E. Theodorakis

Research output: Contribution to journalArticle

7 Citations (Scopus)

Abstract

We use molecular dynamics simulations to study the static properties of a single linear multiblock copolymer chain under poor solvent conditions varying the block length N, the number of blocks n, and the solvent quality by variation of the temperature T. We study the most symmetrical case, where the number of blocks of monomers of type A, nA, equals that of monomers B, nB (nA = nB = n/2), the length of all blocks is the same irrespective of their type, and the potential parameters are also chosen symmetrically, as for a standard Lennard-Jones fluid. Under poor solvent conditions the chains collapse and blocks with monomers of the same type form clusters, which are phase separated from the clusters with monomers of the other type. We study the dependence of the size of the clusters formed on n, N and T. Furthermore, we discuss our results with respect to recent simulation data on the phase behaviour of such macromolecules, providing a complete picture for the cluster formations in single multiblock copolymer chains under poor solvent conditions.
Original languageEnglish
Article number235106
JournalJournal of Physics: Condensed Matter
Volume23
Issue number23
DOIs
Publication statusPublished - 25 May 2011

Fingerprint

copolymers
Copolymers
monomers
Monomers
data simulation
Phase behavior
Macromolecules
macromolecules
Molecular dynamics
molecular dynamics
Fluids
fluids
Computer simulation
simulation
Temperature
temperature

Bibliographical note

The full text is currently unavailable on the repository.

Cite this

Analysis of the static properties of cluster formations in symmetric linear multiblock copolymers. / Fytas, Nikolaos G.; Theodorakis, P. E.

In: Journal of Physics: Condensed Matter, Vol. 23, No. 23, 235106, 25.05.2011.

Research output: Contribution to journalArticle

@article{a771585a47204d519ee7aceb855f7e71,
title = "Analysis of the static properties of cluster formations in symmetric linear multiblock copolymers",
abstract = "We use molecular dynamics simulations to study the static properties of a single linear multiblock copolymer chain under poor solvent conditions varying the block length N, the number of blocks n, and the solvent quality by variation of the temperature T. We study the most symmetrical case, where the number of blocks of monomers of type A, nA, equals that of monomers B, nB (nA = nB = n/2), the length of all blocks is the same irrespective of their type, and the potential parameters are also chosen symmetrically, as for a standard Lennard-Jones fluid. Under poor solvent conditions the chains collapse and blocks with monomers of the same type form clusters, which are phase separated from the clusters with monomers of the other type. We study the dependence of the size of the clusters formed on n, N and T. Furthermore, we discuss our results with respect to recent simulation data on the phase behaviour of such macromolecules, providing a complete picture for the cluster formations in single multiblock copolymer chains under poor solvent conditions.",
author = "Fytas, {Nikolaos G.} and Theodorakis, {P. E.}",
note = "The full text is currently unavailable on the repository.",
year = "2011",
month = "5",
day = "25",
doi = "10.1088/0953-8984/23/23/235106",
language = "English",
volume = "23",
journal = "Journal of Physics: Condensed Matter",
issn = "0953-8984",
publisher = "IOP Publishing",
number = "23",

}

TY - JOUR

T1 - Analysis of the static properties of cluster formations in symmetric linear multiblock copolymers

AU - Fytas, Nikolaos G.

AU - Theodorakis, P. E.

N1 - The full text is currently unavailable on the repository.

PY - 2011/5/25

Y1 - 2011/5/25

N2 - We use molecular dynamics simulations to study the static properties of a single linear multiblock copolymer chain under poor solvent conditions varying the block length N, the number of blocks n, and the solvent quality by variation of the temperature T. We study the most symmetrical case, where the number of blocks of monomers of type A, nA, equals that of monomers B, nB (nA = nB = n/2), the length of all blocks is the same irrespective of their type, and the potential parameters are also chosen symmetrically, as for a standard Lennard-Jones fluid. Under poor solvent conditions the chains collapse and blocks with monomers of the same type form clusters, which are phase separated from the clusters with monomers of the other type. We study the dependence of the size of the clusters formed on n, N and T. Furthermore, we discuss our results with respect to recent simulation data on the phase behaviour of such macromolecules, providing a complete picture for the cluster formations in single multiblock copolymer chains under poor solvent conditions.

AB - We use molecular dynamics simulations to study the static properties of a single linear multiblock copolymer chain under poor solvent conditions varying the block length N, the number of blocks n, and the solvent quality by variation of the temperature T. We study the most symmetrical case, where the number of blocks of monomers of type A, nA, equals that of monomers B, nB (nA = nB = n/2), the length of all blocks is the same irrespective of their type, and the potential parameters are also chosen symmetrically, as for a standard Lennard-Jones fluid. Under poor solvent conditions the chains collapse and blocks with monomers of the same type form clusters, which are phase separated from the clusters with monomers of the other type. We study the dependence of the size of the clusters formed on n, N and T. Furthermore, we discuss our results with respect to recent simulation data on the phase behaviour of such macromolecules, providing a complete picture for the cluster formations in single multiblock copolymer chains under poor solvent conditions.

U2 - 10.1088/0953-8984/23/23/235106

DO - 10.1088/0953-8984/23/23/235106

M3 - Article

VL - 23

JO - Journal of Physics: Condensed Matter

JF - Journal of Physics: Condensed Matter

SN - 0953-8984

IS - 23

M1 - 235106

ER -