ORDERED MICROPHASES OF SYMMETRIC DIBLOCK COPOLYMER IN SELECTIVE SOLVENT: DISSIPATIVE PARTICLE DYNAMICS SIMULATION AND RADIAL DISTRIBUTION FUNCTION ANALYSIS-Reference-Cited by-同舟云学术

ORDERED MICROPHASES OF SYMMETRIC DIBLOCK COPOLYMER IN SELECTIVE SOLVENT: DISSIPATIVE PARTICLE DYNAMICS SIMULATION AND RADIAL DISTRIBUTION FUNCTION ANALYSIS

Published:2011-12 Issue:06 Volume:10 Page:731-745
ISSN:0219-6336
Container-title:Journal of Theoretical and Computational Chemistry
language:en
Short-container-title:J. Theor. Comput. Chem.

Author:

SUN HAINAN¹,LI BAIQING¹,ZHANG CHANGQIAO¹,WANG CHUNLING¹,LIU CHENGBU¹

Affiliation:

1. Institute of Theoretical Chemistry, Key Laboratory of Colloid and Interface Chemistry, Ministry of Education, Shandong University, Jinan, Shandong 250100, P. R. China

Abstract

The self-assembly process of a symmetric diblock copolymer A5B5 in a selective solvent is studied using the dissipative particle dynamics method. Four types of morphologies can form, including lamellae, perforated lamellae, cylinders and spheres. Three phase diagrams are presented to demonstrate the effect of the concentration and interaction parameters on the ordered microstructures. Radial distribution function (RDF) characterizing the spatial correlations of the blocks is calculated. RDF not only confirms the morphological observations, but also provides more quantitative details. The evolution process of hexagonally packed cylinder and lamellae is also illustrated.

Publisher

World Scientific Pub Co Pte Lt

Subject

Computational Theory and Mathematics,Physical and Theoretical Chemistry,Computer Science Applications

Link

https://www.worldscientific.com/doi/pdf/10.1142/S0219633611006827

Reference36 articles.

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2. Microphase separation of diblock copolymer poly(styrene-b-isoprene): A dissipative particle dynamics simulation study

3. Dissipative Particle Dynamics Study of Order−Order Phase Transition of BCC, HPC, OBDD, and LAM Structures of the Poly(styrene)−Poly(isoprene) Diblock Copolymer

4. Phase Behavior of a Block Copolymer in Solvents of Varying Selectivity

5. Phase behavior of an amphiphilic molecule in the presence of two solvents by dissipative particle dynamics

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