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RISS 인기검색어
- 검색키워드
- 저자 : Chantawansri, Tanya L. (검색결과 2 건)
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Computational study of the morphology and mechanical properties of dilute ABC triblock copolymers
Chantawansri, Tanya L.,Sliozberg, Yelena R. 한국유변학회 2014 Korea-Australia rheology journal Vol.26 No.1
Dissipative particle dynamics was used to predict the morphology and mechanical properties of unentangled linear ABC triblock copolymer gels, where the midblock is solvophilic. By varying the A, B, and C fraction in the triblock, we observe a variety of multicomponent micelles in addition to singular A and C micelles. These multicomponent micelles include sphere-on-sphere micelles, multi-sphere-on-sphere, worm-like micelles, and branched micelles. Simulation cells were also subjected to deformation under uni-axial tension, and correlated to the extent of macrophase separation. Values of elastic modulus were also extracted from the calculated stress using the theory of linear elasticity. Extracted values of the modulus are shown to scale inversely with the midblock length which agrees with other theoretical predictions.
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Self-consistent field theory for diblock copolymers grafted to a sphere
Vorselaars, Bart,Kim, Jaeup U.,Chantawansri, Tanya L.,Fredrickson, Glenn H.,Matsen, Mark W. Royal Society of Chemistry 2011 SOFT MATTER Vol.7 No.11
<P>An efficient numerical self-consistent field theory (SCFT) algorithm is developed for treating structured polymers on spherical surfaces. The method solves the diffusion equations of SCFT with a pseudo-spectral approach that combines a spherical-harmonics expansion for the angular coordinates with a modified real-space Crank–Nicolson method for the radial direction. The self-consistent field equations are solved with Anderson-mixing iterations using dynamical parameters and an alignment procedure to prevent angular drift of the solution. A demonstration of the algorithm is provided for thin films of diblock copolymer grafted to the surface of a spherical core, in which the sequence of equilibrium morphologies is predicted as a function of diblock composition. The study reveals an array of interesting behaviors as the block copolymer pattern is forced to adapt to the finite surface area of the sphere.</P> <P>Graphic Abstract</P><P>An efficient SCFT algorithm is developed and used to predict the morphologies of diblock copolymers grafted to a spherical nanoparticle. <IMG SRC='http://pubs.rsc.org/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=c0sm01242d'> </P>
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