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Simulation study on the liquid‐crystalline ordering and fluidity of energetic diblock copolymers based on poly[3,3‐bis(azidomethyl) oxetane]
Author(s) -
Yang Zhou,
XinPing Long,
QingXuan Zeng
Publication year - 2013
Publication title -
journal of applied polymer science
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.575
H-Index - 166
eISSN - 1097-4628
pISSN - 0021-8995
DOI - 10.1002/app.38922
Subject(s) - dissipative particle dynamics , oxetane , copolymer , materials science , liquid crystal , polymer chemistry , phase (matter) , phase transition , transition temperature , chemical engineering , thermodynamics , polymer , composite material , organic chemistry , chemistry , physics , superconductivity , optoelectronics , quantum mechanics , engineering
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 ( T ODT ) and depended strongly on x . A simple scaling rule, T ODT ≈ e − x , between T ODT 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