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.
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14 August 2018
Research Article|
August 13 2018
Microscopic density functional theory for monolayers of diblock copolymers
Edyta Słyk;
Edyta Słyk
1
Department for the Modeling of Physico–Chemical Processes, Maria Curie–Skłodowska University
, 20–031 Lublin, Poland
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Roland Roth
;
Roland Roth
2
Institute for Theoretical Physics, University of Tübingen
, Auf der Morgenstelle 14, 72076 Tübingen, Germany
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Paweł Bryk
Paweł Bryk
1
Department for the Modeling of Physico–Chemical Processes, Maria Curie–Skłodowska University
, 20–031 Lublin, Poland
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J. Chem. Phys. 149, 064902 (2018)
Article history
Received:
May 08 2018
Accepted:
July 30 2018
Citation
Edyta Słyk, Roland Roth, Paweł Bryk; Microscopic density functional theory for monolayers of diblock copolymers. J. Chem. Phys. 14 August 2018; 149 (6): 064902. https://doi.org/10.1063/1.5039522
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