1999
DOI: 10.1063/1.478432
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Monte Carlo simulations of copolymers at homopolymer interfaces: Interfacial structure as a function of the copolymer density

Abstract: Abstract. By means of extensive Monte Carlo simulations of the bond fluctuation model, we study the effect of adding AB diblock copolymers on the properties of an interface between demixed homopolymer phases. The parameters are chosen such that the homopolymers are strongly segregated, and the whole range of copolymer concentrations in the two phase coexistence region is scanned. We compare the "mushroom" regime, in which copolymers are diluted and do not interact with each other, with the "wet brush" regime, … Show more

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Cited by 29 publications
(27 citation statements)
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“…These oscillations were not observed in the previous simulations done on ternary mixtures of two immiscible homopolymers and diblock copolymers. 21,27 Figures 3 and 4 also show that the A-monomers ͑B-monomers͒ of surfactants are mainly located in the A-rich ͑B-rich͒ region of the system. However a small mixed region is observed at the interface.…”
Section: ͑14͒mentioning
confidence: 98%
See 1 more Smart Citation
“…These oscillations were not observed in the previous simulations done on ternary mixtures of two immiscible homopolymers and diblock copolymers. 21,27 Figures 3 and 4 also show that the A-monomers ͑B-monomers͒ of surfactants are mainly located in the A-rich ͑B-rich͒ region of the system. However a small mixed region is observed at the interface.…”
Section: ͑14͒mentioning
confidence: 98%
“…Similar results were recently obtained by Matsen 19 using the self-consistent field theory alone on fixed spherical and cylindrical geometries. Also recently, Müller and Schick 20 and Werner et al 21 performed Monte Carlo simulations of ternary mixtures of two immiscible homopolymers and diblock copolymers using the bond-fluctuation model, and inferred as well as the effect of the copolymers on the interfacial tension and bending rigidity of the interface.…”
Section: Introductionmentioning
confidence: 99%
“…HP copolymers are readily localized at such an interface because under a sufficiently large degree of selectivity the hydrophobic and polar parts of a copolymer chain try to stay on different sides of the interface due to the interplay between the entropy loss in the vicinity of the interface and the energy gain in the proper solvent. [4][5][6][7][8] The seminal paper by Garel et al 9 has attracted attention to the interface localization of random HP copolymer and has brought about a great number of publications on this subject. 1 Early in the study of compatibilizers, the attention has been focused mainly on diblock copolymers due to their relatively simple structural characteristics.…”
Section: Introductionmentioning
confidence: 99%
“…The large scale fluctuations are controlled by the surface tension, γ, and obey |h(k)| 2 ∼ k −2 . This method has successfully been employed to extract the tension and bending rigidity from simulations of interfaces in polymer blends [ 159,356,357], polymer-solvent interfaces [ 317] liquid crystals [ 358,359], and lipid bilayers [ 353,137,111,354,174,17,182,355]. To do so, one numerically determines the position, h, of the interface, or bilayer, in sub-columns centered around (x i , y j ) and with lateral size ∆ (block analysis [ 360,356]).…”
Section: Helfrich's Curvature Hamiltonian and Its Numerical Implementmentioning
confidence: 99%