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Thin film morphologies of -conjugated rod-coil block copolymers with thermoresponsive property: A combined experimental and molecular simulation study
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10.1063/1.3428761
/content/aip/journal/jcp/132/21/10.1063/1.3428761
http://aip.metastore.ingenta.com/content/aip/journal/jcp/132/21/10.1063/1.3428761

Figures

Image of Scheme 1.
Scheme 1.

Synthesis of PF--PNIPAAm rod-coil block copolymers. Noted that P1: , and P2: , .

Image of Scheme 2.
Scheme 2.

Schematic illustration of the chemical structure of amphiphilic diblock copolymer, PF--FNIPAAm, and its idealized conformations on hydrophilic and hydrophobic surfaces.

Image of FIG. 1.
FIG. 1.

The comparison between the transition curve of the coarse-grained PNIPAAm DPD chain used in this work and the experimental coil-to-globule transition curve of PNIPAAM hydrogel.

Image of FIG. 2.
FIG. 2.

Variation of optical transmittance with temperature . (a) P1; (b) P2.

Image of FIG. 3.
FIG. 3.

Water contact angles (a) original quartz surface; (b) hydrophilically modified quartz surface; (c) hydrophobically modified quartz surface.

Image of FIG. 4.
FIG. 4.

Water contact angles of surfaces coated with P10.5 (0.5 wt % in THF) (a) hydrophilically modified quartz surface; (b) hydrophobically modified quartz surface. The AFM images, simulation snapshots and schematic diagrams of the surfaces are also shown.

Image of FIG. 5.
FIG. 5.

AFM micrographs of P11.0 films at different temperatures, (a) heating up and cooling down ; (b) ; (c) ; (d) 3D views at ; (e) 3D views at .

Image of Scheme 3.
Scheme 3.

Morphology transition of the PF--PNIPAAm polymers due to breaking of the hydrogen bonds between PNIPAAm blocks and water molecules as temperature is higher than the LCST of PF--PNIPAAm block copolymer.

Image of FIG. 6.
FIG. 6.

Simulated surface structures (3D and side views) and height statistics of rod-coil block copolymer films with the parameters of , , , and . The system volume is set to be .

Image of FIG. 7.
FIG. 7.

(a) AFM micrographs of polymer films formed from P10.1 and P10.5 at various temperatures and simulation snapshots of at various . For simulation, the average domain size varies as increases the average domain size of and is set as basis for comparison (i.e., ). (b) The percentage of overall surface area taken by the rod aggregates vs .

Image of FIG. 8.
FIG. 8.

(a) AFM images of polymer films formed from P10.1 and P11.0 at various temperatures (b) Experimental surface roughness of P1 films vs temperature .

Image of FIG. 9.
FIG. 9.

(a) Simulation side views of at various where (b) simulation surface roughness of at various .

Image of FIG. 10.
FIG. 10.

(a) The thickness of the polymer films are 5.4, 28.9, and 51.4 ran for P10.1, P10.5, and P11.0, respectively, (b) The thickness and simulated side views of rod-coil block copolymer films for with the parameters of , and . The system volume is set to be .

Image of FIG. 11.
FIG. 11.

AFM micrographs of polymer films at . (a) P10.1; (b) P10.5; (c) P11.0 and the corresponding simulation snapshots for at (d) ; (e) ; (f) .

Image of FIG. 12.
FIG. 12.

AFM micrograph of (a) P10.1 film, (b) P20.1 film, (c) P10.5 film, (d) P20.5 film, (e) Simulated surface top views of and copolymer films for different and , (f) Simulated surface side views of , and copolymer films at .

Image of FIG. 13.
FIG. 13.

Water contact angles of P1 & P2 films. (a) P10.5 at ; (b) P10.5 at ; (c) P20.5 at ; (d) P20.5 at . Corresponding surface side views of simulations are also shown.

Image of FIG. 14.
FIG. 14.

PL spectra of P11.0 polymer films in the temperature range of . (a): heating; (b): cooling process.

Tables

Generic image for table
Table I.

The repulsion parameters for the DPD particles.

Generic image for table
Table II.

PL characteristics of P1 polymer.

Generic image for table
Table III.

PL characteristics of P2 polymer.

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/content/aip/journal/jcp/132/21/10.1063/1.3428761
2010-06-02
2014-04-19
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Thin film morphologies of π-conjugated rod-coil block copolymers with thermoresponsive property: A combined experimental and molecular simulation study
http://aip.metastore.ingenta.com/content/aip/journal/jcp/132/21/10.1063/1.3428761
10.1063/1.3428761
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