Microphase separation of phenylene oligomers with polymeric side chains: A dissipative particle dynamics study

Erol Yildirim; Mine Yurtsever; Burcu Kenarli; A. Levent Demirel

doi:10.1002/mats.201000100

Microphase separation of phenylene oligomers with polymeric side chains: A dissipative particle dynamics study

Erol Yildirim, Mine Yurtsever^*, Burcu Kenarli, A. Levent Demirel

^*Corresponding author for this work

Department of Chemistry

Research output: Contribution to journal › Article › peer-review

7 Citations (Scopus)

Abstract

The microphase-separated morphologies of p-phenylene oligomers with POx, PCL, PS, and PEO side chains are studied using DPD simulations. It is shown that the microphase-separated morphologies depend significantly on the degree of chemical incompatibility between the components as indicated by the Flory-Huggins interaction parameters. The good agreement of the microphase separated morphologies as simulated by DPD with the experimentally determined thin film morphologies suggests that DPD can produce convincing morphological information at the nanoscale. The results show that grafting of polymeric side chains can be an important tool to control the morphology of polymers with a rigid backbone.

Original language	English
Pages (from-to)	340-349
Number of pages	10
Journal	Macromolecular Theory and Simulations
Volume	20
Issue number	5
DOIs	https://doi.org/10.1002/mats.201000100
Publication status	Published - 22 Jun 2011

Keywords

dissipative particle dynamics
morphology
phase separation
poly(paraphenylene)s

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abstract = "The microphase-separated morphologies of p-phenylene oligomers with POx, PCL, PS, and PEO side chains are studied using DPD simulations. It is shown that the microphase-separated morphologies depend significantly on the degree of chemical incompatibility between the components as indicated by the Flory-Huggins interaction parameters. The good agreement of the microphase separated morphologies as simulated by DPD with the experimentally determined thin film morphologies suggests that DPD can produce convincing morphological information at the nanoscale. The results show that grafting of polymeric side chains can be an important tool to control the morphology of polymers with a rigid backbone.",

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T1 - Microphase separation of phenylene oligomers with polymeric side chains

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AU - Yildirim, Erol

AU - Yurtsever, Mine

AU - Kenarli, Burcu

AU - Demirel, A. Levent

PY - 2011/6/22

Y1 - 2011/6/22

N2 - The microphase-separated morphologies of p-phenylene oligomers with POx, PCL, PS, and PEO side chains are studied using DPD simulations. It is shown that the microphase-separated morphologies depend significantly on the degree of chemical incompatibility between the components as indicated by the Flory-Huggins interaction parameters. The good agreement of the microphase separated morphologies as simulated by DPD with the experimentally determined thin film morphologies suggests that DPD can produce convincing morphological information at the nanoscale. The results show that grafting of polymeric side chains can be an important tool to control the morphology of polymers with a rigid backbone.

AB - The microphase-separated morphologies of p-phenylene oligomers with POx, PCL, PS, and PEO side chains are studied using DPD simulations. It is shown that the microphase-separated morphologies depend significantly on the degree of chemical incompatibility between the components as indicated by the Flory-Huggins interaction parameters. The good agreement of the microphase separated morphologies as simulated by DPD with the experimentally determined thin film morphologies suggests that DPD can produce convincing morphological information at the nanoscale. The results show that grafting of polymeric side chains can be an important tool to control the morphology of polymers with a rigid backbone.

KW - dissipative particle dynamics

KW - morphology

KW - phase separation

KW - poly(paraphenylene)s

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JO - Macromolecular Theory and Simulations

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ER -

Microphase separation of phenylene oligomers with polymeric side chains: A dissipative particle dynamics study

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