Simulation of Perforated Lamelar Structures of Diblock Copolymer Induced by Surface Patterns†

doi:10.7503/cjcu20180263

Abstract

Abstract:

Dissipative particle dynamics simulations were employed to study the phase behavior of diblock copolymer on the surface of substrate with the induction of circular patterns. Four types of perforated lamelar structures(PLS) were found by adjusting the radius of circular pattern and the thickness of film, which are named as PLS-Ⅰ, PLS-Ⅱ, PLS-Ⅲ and PLS-Ⅳ according to phase connectivity. The phase diagram was obtained by systematically changing circular radius and the thickness of film. Moreover, the mechanism of forming these structures was proposed. The result could provide theoretical supports for the design and development of diblock copolymer functional film materials.

Key words: Dissipative particle dynamics, Diblock copolymer, Surface pattern induction, Perforated lamellar structure

CLC Number:

O631

TrendMD:

RONG Jingjing,MA Lan,ZHU Youliang,HUANG Yineng,SUN Zhaoyan. Simulation of Perforated Lamelar Structures of Diblock Copolymer Induced by Surface Patterns^†[J]. Chem. J. Chinese Universities, 2018, 39(12): 2805.

Figures/Tables 6

Fig.1 Schematic model of pattern surface and diblock copolymer A10B10

Table 1 Interaction parameters(α) of DPD

Particle	A	B	C	D
A	25	40	25	100
B		25	100	25
C			0	0
D				0

Fig.2 Snapshots of self-assembled structuresA structure is shown in different perspectives in a column and labeled in the top.

Fig.3 Phase diagram of perforated lamellar structures of the diblock copolymer film

Fig.4 Structure factor(A) and radial distribution function(B) for different circular radius

Fig.5 Structure factor(A) and radial distribution function(B) for different thickness of film

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