Simulation study on the liquid-crystalline ordering and fluidity of energetic diblock copolymers based on poly[3,3-bis(azidomethyl) oxetane]

Authors

  • Zhou Yang,

    Corresponding author
    1. Institute of Chemical Materials, Chinese Academy of Engineering and Physics, Mianyang 621900, China
    2. School of Mechanical and Electrical Engineering, Beijing Institute of Technology, Beijing 100081, China
    • Institute of Chemical Materials, Chinese Academy of Engineering and Physics, Mianyang 621900, China
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  • Long Xin-Ping,

    1. Chinese Academy of Engineering and Physics, Mianyang 621900, China
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  • Zeng Qing-Xuan

    1. Institute of Chemical Materials, Chinese Academy of Engineering and Physics, Mianyang 621900, China
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Abstract

The liquid-crystalline ordering and fluidity of energetic diblock copolymers based on poly[3,3-bis(azidomethyl) oxetane] (BAMO) and 3-nitratomethyl-3′-methyloxetane (NMMO) were investigated by the dissipative particle dynamics method. The results show that these copolymers, with moderate BAMO block lengths (x's), experienced the disorder, nematic, and smectic phases with decreasing temperature. The nematic phase was suppressed when the rod length was too long or short. After the formation of the smectic phase, the fluidity had a sharp decline. The temperature forming the smectic phase was defined as the order–disorder transition temperature (TODT) and depended strongly on x. A simple scaling rule, TODTex, between TODT and x was constructed. The effect of the soft NMMO block fraction on the fluidity emerged before the formation of the smectic phase. These results can help researchers design and synthesize new energetic copolymers with an appropriate melting temperature range for use as binders of solid propellants. © 2013 Wiley Periodicals, Inc. J. Appl. Polym. Sci., 2013

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