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Effect of monomer sequences on conformations of copolymers grafted on spherical nanoparticles: A Monte Carlo simulation study
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10.1063/1.3385469
/content/aip/journal/jcp/132/16/10.1063/1.3385469
http://aip.metastore.ingenta.com/content/aip/journal/jcp/132/16/10.1063/1.3385469

Figures

Image of FIG. 1.
FIG. 1.

A schematic of model AB copolymer grafted particles with alternating and diblock sequence for grafted chain length . Also shown are the various monomer sequences—alternating or , multiblocks , , and diblock or —for the grafted chain length .

Image of FIG. 2.
FIG. 2.

(a) Radius of gyration and (b) number of attractive monomer contacts as a function of monomer sequence for six AB copolymers of length grafted on a spherical nanoparticle of diameter at athermal interactions (no symbols solid line) and monomer-monomer attractive interaction (circles), 0.5 kT (down triangle), and 1 kT (up triangle). Open symbols-dashed lines correspond to systems where A monomers are attractive and filled symbols-solid lines correspond to systems where B monomers are attractive. Monomer sequence 1 refers to alternating, 2 refers to , 3 refers to , and 4 refers to diblock copolymer.

Image of FIG. 3.
FIG. 3.

Average number of monomers N(r) at increasing radial distance from the surface of the particle r for particle diameter with six (a) alternating copolymers and (b) diblock copolymer grafted chains of length at athermal interactions (black solid line) and monomer-monomer attractive interaction (circles) and 1 kT (triangles). Open symbols-dashed lines correspond to systems where A monomers are attractive and filled symbols-solid lines correspond to systems where B monomers are attractive.

Image of FIG. 4.
FIG. 4.

Radius of gyration as a function of monomer sequence for AB copolymers of length grafted on a spherical nanoparticle of diameter (a) and (b) 12 at athermal interactions (black solid line) and monomer-monomer attractive interaction (circles) and 1 kT (triangles). (c) Number of attractive monomer contacts for (circles), (triangles), and 12 (squares) at monomer attractive interaction . Open symbols-dashed lines correspond to systems where A monomers are attractive and filled symbols-solid lines correspond to systems where B monomers are attractive.

Image of FIG. 5.
FIG. 5.

Representative simulation snapshots (best seen in color) for alternating and diblock AB copolymers of length grafted on a spherical nanoparticle of diameter , 8, and 12 at or . For alternating sequence we show snapshots only for because the chain conformations are similar for both and . exhibits intra- and interchain monomer aggregation and exhibits mainly intrachain aggregation only. shows purely intrachain aggregation for diblock copolymer and A block attractive and a combination of intra- and interchain aggregation for alternating and diblock and B block attractive.

Image of FIG. 6.
FIG. 6.

Radius of gyration as a function of monomer sequence (x-axis) for AB copolymers of length grafted on spherical nanoparticles of size , 8, and 12 nm at grafting density of and at athermal interactions (black solid line) and monomer-monomer attractive interaction (circles) and 1 kT (triangles). Open symbols-dashed lines correspond to systems where A monomers are attractive and filled symbols-solid lines correspond to systems where B monomers are attractive.

Image of FIG. 7.
FIG. 7.

Radius of gyration as a function of monomer sequence for AB copolymers of length grafted on a flat surface at decreasing grafting density at athermal interactions (black solid line) and monomer-monomer attractive interaction (circles) and 1 kT (triangles). Open symbols-dashed lines correspond to systems where A monomers are attractive and filled symbols-solid lines correspond to systems where B monomers are attractive.

Image of FIG. 8.
FIG. 8.

as a function of log(N), where N is the length of the grafted or free copolymer at (a) athermal conditions, (b) alternating copolymers at A-A monomer-monomer attraction strength are 1 kT, and (c) diblock copolymers at A-A monomer-monomer attraction strength are 1 kT.

Tables

Generic image for table
Table I.

The exponent and prefactor in , where N is the grafted chain length for systems: chain, chains grafted on particle, chains grafted on particles, chains grafted on a flat surface with grafting density same as II, and chains grafted on a flat surface with grafting density same as III. Empty cells indicate that the data did not fit the scaling relationship.

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/content/aip/journal/jcp/132/16/10.1063/1.3385469
2010-04-22
2014-04-20
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Effect of monomer sequences on conformations of copolymers grafted on spherical nanoparticles: A Monte Carlo simulation study
http://aip.metastore.ingenta.com/content/aip/journal/jcp/132/16/10.1063/1.3385469
10.1063/1.3385469
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