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dc.contributor.authorGong, Kai
Marshall, Bennett D.
Chapman, Walter G.
dc.date.accessioned 2017-05-03T21:11:46Z
dc.date.available 2017-05-03T21:11:46Z
dc.date.issued 2012
dc.identifier.citation Gong, Kai, Marshall, Bennett D. and Chapman, Walter G.. "Response behavior of diblock copolymer brushes in explicit solvent." The Journal of Chemical Physics, 137, no. 15 (2012) American Institute of Physics: https://doi.org/10.1063/1.4757860.
dc.identifier.urihttps://hdl.handle.net/1911/94161
dc.description.abstract The understanding of phase behavior of copolymer brushes is of fundamental importance for the design of smart materials. In this paper, we have performed classical density functional theory calculations to study diblock copolymer brushes (A-B) in an explicit solvent which prefers the A block to B block. With increasing B-block length (NB), we find a structural transition of the copolymer brush from mixed to collapsed, partial-exposed, and exposed structure, which is qualitatively consistent with experiments. The phase transitions are attributed to the interplay between entropic cost of folding copolymer brushes and enthalpic effect of contact between unlike components. In addition, we examine the effect of different parameters, such as grafting density (ρg), the bottom block length (NA), and the chain length of solvent (NS) on the solvent response of copolymer brushes. The transition chain length (NB) increases with decreasing ρg and NA, and a smaller solvent molecule makes the collapsed structure less stable due to its lower penetration cost. Our results provide the insight to phase behavior of copolymer brushes in selective solvents from a molecular view.
dc.language.iso eng
dc.publisher American Institute of Physics
dc.rights Article is made available in accordance with the publisher's policy and may be subject to US copyright law. Please refer to the publisher's site for terms of use.
dc.title Response behavior of diblock copolymer brushes in explicit solvent
dc.type Journal article
dc.citation.journalTitle The Journal of Chemical Physics
dc.citation.volumeNumber 137
dc.citation.issueNumber 15
dc.type.dcmi Text
dc.identifier.doihttps://doi.org/10.1063/1.4757860
dc.identifier.pmid 23083188
dc.type.publication publisher version
dc.citation.articleNumber 154904


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