Symmetric diblock copolymers in nanopores: Monte Carlo simulations and strong-stretching theory

Wang, Qiang

doi:doi:10.1063/1.2406078

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Polyion-induced liposomal vesicle aggregation: A radiowave dielectric relaxation study

The radiowave dielectric properties of aqueous heterogeneous systems during the complexation of charged polyions and oppositely charged liposomal particles have been measured in a wide frequency range, between 100 Hz and 2 GHz. The formation of a polyion-liposome complex driven by the correlated polyion adsorption at the particle surface implies two concomitant effects referred to as reentrant condensation and charge inversion. Both of them are governed by electrostatic interactions and there i...

Morphology of a highly asymmetric double crystallizable poly(ε-caprolactone-b-ethylene oxide) block copolymer

The morphology of a highly asymmetric double crystallizable poly(ε-caprolactone-b-ethylene oxide) (PCL-b-PEO) block copolymer has been studied with in situ simultaneously small and wide-angle x-ray scattering as well as atomic force microscopy. The molecular masses Mn of the PCL and PEO blocks are 24 000 and 5800, respectively. X-ray scattering and rheological measurements indicate that no microphase separation occurs in the melt. Decreasing the temperature simultaneously triggers off a crystal...

We have performed lattice Monte Carlo simulations to study the self-assembled morphology of symmetric diblock copolymers in nanopores. The pore diameter and surface preference are systematically varied to examine their effects on the chain conformations, structures of various morphologies, and their phase transition. Various ensemble-averaged profiles and quantities are used to provide detailed information about the system. The simulation results are also compared with the predictions of a strong-stretching theory commonly used in the literature. Such comparisons reveal the deficiencies of this theory in describing the morphologies under cylindrical confinement, and call for further theoretical studies using more accurate formalisms.

Article Outline

INTRODUCTION
METHODS
1. Lattice Monte Carlo simulations
2. Strong-stretching theory
RESULTS
1. Concentric cylinders at strong surface preferences
2. Slab morphology at neutral or weak surface preferences
3. Effects of surface preference
4. Morphological transitions during simulation
DISCUSSION
CONCLUSIONS

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KEYWORDS and PACS

Keywords

polymer blends, polymer films, polymer structure, Monte Carlo methods, self-assembly, surface phase transformations, nanoporous materials, porosity

PACS

61.41.+e

Polymers, elastomers, and plastics
61.43.Bn

Structural modeling: serial-addition models, computer simulation
68.55.-a

Thin film structure and morphology
68.35.Rh

Phase transitions and critical phenomena
68.47.Pe

Langmuir-Blodgett films on solids; polymers on surfaces; biological molecules on surfaces

ARTICLE DATA

Digital Object Identifier

http://dx.doi.org/10.1063/1.2406078

PUBLICATION DATA

ISSN

0021-9606 (print)

1089-7690 (online)

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$abstract.society.value is a Member of CrossRef

American Institute of Physics

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