Acta Phys. -Chim. Sin. ›› 2014, Vol. 30 ›› Issue (12): 2241-2248.doi: 10.3866/PKU.WHXB201410171

• THEORETICAL AND COMPUTATIONAL CHEMISTRY • Previous Articles     Next Articles

Sequential Mesoscale Approach for Determining the Effects of the Addition of a Block Copolymer Compatibilizer on the Mechanical Properties of Polymer Blends

DENG Sheng-Wei1, HAN Xia1, HUANG Yong-Min1, XU Shou-Hong1, LIU Hong-Lai1, LIN Shao-Liang2   

  1. 1. State Key Laboratory of Chemical Engineering and Department of Chemistry, East China University of Science and Technology, Shanghai 200237, P. R. China;
    2. School of Materials Science and Engineering, East China University of Science and Technology, Shanghai 200237, P. R. China
  • Received:2014-08-03 Revised:2014-10-16 Published:2014-11-27
  • Contact: LIU Hong-Lai E-mail:hlliu@ecust.edu.cn
  • Supported by:

    The project was supported by the National Natural Science Foundation of China (91334203, 21476071, 51103044) and Fundamental Research Funds for the Central Universities, China.

Abstract:

The compatibilizing effects of the addition of a block copolymer on the mechanical properties of immiscible polymer blends were studied using a combined simulation method; this method used MesoDyn to determine the morphology and a probabilistic lattice spring model (LSM) to determine the mechanical properties. The mechanical properties, including the Young's modulus, tensile strength, and fracture position, were analyzed as a function of the concentration of the additive. The simulation results showed that the polymer blends without any compatibilizer had poor mechanical properties, compared with the original components, primarily because of the lack of stress transfer across the sharp interface. The tensile strength increased dramatically with the addition of the compatibilizer. The fracture position moved from the interface further into the matrix with increases in the volume fraction of the compatibilizer, leading to the enhancement of the tensile strength. The Young's modulus varied slightly with increases in the concentration of the additive. These studies provide an efficient path for the correlation of the complex morphologies of polymer blends with their mechanical response.

Key words: MesoDyn, Compatibilizer, Lattice spring model, Tensile strength, Fracture

MSC2000: 

  • O641