Formation of tubular scrolls with controlled internal cavity

Minwoo Han, Eunji Sim

Research output: Contribution to journalArticle

5 Citations (Scopus)

Abstract

In this work, we investigate internal cavity controlled tubular scroll formation through simple modification of tether coils that are grafted on the surface of a 2D polymer sheet. Dissipative particle dynamics simulations show that coarse-grained 2D sheets transform to various cylindrical structures including tubular and filled scrolls in the presence of broken volume and chemical symmetries of tether coils: volume (chemical) asymmetry arises when coils on one side have a different number of beads (solvent affinity) from those on the other side. It is clear from a phase diagram that the scroll formation is governed by the balance between hydrophobicity and entropy of coils. The density profiles show that a wide range of interior cavity diameter can be obtained by employing volume asymmetry on coils with weak chemical asymmetry. We provide crucial scientific insights in understanding the scroll formation through self-assembly of rod-coil molecules and suggest modification of the tether coil's properties as a practical and systematic method to form tubular scrolls with targeted internal cavity.

Original languageEnglish
Pages (from-to)1796-1801
Number of pages6
JournalJournal of Physical Chemistry B
Volume116
Issue number6
DOIs
Publication statusPublished - 2012 Feb 16

Fingerprint

coils
cavities
Hydrophobicity
asymmetry
Self assembly
Phase diagrams
Polymers
Entropy
Molecules
Computer simulation
hydrophobicity
beads
affinity
self assembly
rods
phase diagrams
entropy
polymers
symmetry
profiles

All Science Journal Classification (ASJC) codes

  • Surfaces, Coatings and Films
  • Physical and Theoretical Chemistry
  • Materials Chemistry

Cite this

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Formation of tubular scrolls with controlled internal cavity. / Han, Minwoo; Sim, Eunji.

In: Journal of Physical Chemistry B, Vol. 116, No. 6, 16.02.2012, p. 1796-1801.

Research output: Contribution to journalArticle

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