Microscopic density functional theory for monolayers of diblock copolymers

被引:1
|
作者
Slyk, Edyta [1 ]
Roth, Roland [2 ]
Bryk, Pawel [1 ]
机构
[1] Marie Curie Sklodowska Univ, Dept Modeling Physicochem Proc, PL-20031 Lublin, Poland
[2] Univ Tubingen, Inst Theoret Phys, Morgenstelle 14, D-72076 Tubingen, Germany
来源
JOURNAL OF CHEMICAL PHYSICS | 2018年 / 149卷 / 06期
关键词
DIRECTIONAL ATTRACTIVE FORCES; SELF-CONSISTENT-FIELD; MONTE-CARLO SIMULATIONS; THERMODYNAMIC PERTURBATION-THEORY; NONUNIFORM POLYATOMIC SYSTEMS; EXCLUDED-VOLUME POLYMERS; SLITLIKE PORES; STATISTICAL-MECHANICS; IMMISCIBLE POLYMERS; INTEGRAL-EQUATIONS;
D O I
10.1063/1.5039522
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
We propose density functional theory for diblock copolymers in two dimensions. Our theoretical framework is based on Wertheim's first order thermodynamic perturbation theory. Using the proposed approach, we investigate the structure and phase behavior of monolayers of symmetric diblock copolymers. We find that the phase behavior of symmetric diblock copolymer monolayers is similar to that in 3D. This includes the scaling of the equilibrium lamellar width with chain length. We find that the topology of the resulting phase diagrams depends on the chain length and the unlike segment interaction incompatibility and involves either one, two, or three triple points (one of them being the peritectic point). We expect that a similar phase behavior could be obtained for monolayers of colloidal suspensions with carefully tuned interparticle interactions. Published by AIP Publishing.
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页数:8
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