화학공학소재연구정보센터
홈 로그인 로그아웃 연락처 사이트맵
Korea-Australia Rheology Journal, Vol.26, No.1, 49-61, February, 2014
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Computational study of the morphology and mechanical properties of dilute ABC triblock copolymers
Tanya L. Chantawansri1, †, and Yelena R. Sliozberg1, 2
  • 1US Army Research Laboratory, Aberdeen Proving Ground, Maryland 21005, USA
  • 2Bowhead Science and Technology, 15163 Dahlgren Rd, King George, Virginia 22485, USA
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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.
Keywords:multicomponent micelles;morphology;mechanical properties;dissipative particle dynamics;computational modeling
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