화학공학소재연구정보센터
Polymer, Vol.52, No.26, 6110-6116, 2011
Dissipative particle dynamics studies on the interface of incompatible A/B homopolymer blends in the presence of nanorods
Dissipative particle dynamics (DPD) simulations are used to investigate the effect of nanorods on the interface of immiscible A/B homopolymer blends. The nanorods are constructed by a string of beads connected through the spring forces, and then their rigidity is achieved depending on the angle forces. For the low volume fraction and/or aspect ratio, nanorods lead to broaden the interfacial width, D and decrease the interfacial tension, gamma(S) with the increase of the volume fraction. There is also a pronounced linear relationship. For the high volume fraction and/or aspect ratio, the variation of D and gamma(S) is found to depend on Onsager's dimensionless parameter psi nu, where psi and nu rare the volume fraction and aspect ratio of nanorods in the systems, respectively. Two scaling D similar to (psi nu)(3) and gamma(S) similar to (psi nu)(2) are constructed. These results indicate that nanorods can indeed be used as a compatibilizing agent of immiscible blends as mentioned in reference [J. Chem. Phys. 2008, 128, 054901] and improve the interfacial characteristics, only when the parameters (psi nu) in the correct range are chosen. (C) 2011 Elsevier Ltd. All rights reserved.