Abstract
Crosslinking rate is an important factor affecting thermo-mechanical properties of liquid crystal elastomers (LCEs). In this paper, molecular models for LCEs with different crosslinking rates are firstly established, and then the thermo-phase transition process is simulated. The variation of volume fraction and energy in each molecular component during the phase transition are given, and the relationship between phase transition temperature and crosslinking rate is formulated. Modulus contour map for LCEs with different crosslinking rates are plotted to see the influence of crosslinking rate on their mechanical properties. The results indicate that the inflection point on the free volume-temperature curve corresponds to the glass transition temperature at which the rotation and twisting of mesogen and PMHS is strengthened. Crosslinking enhances molecular bonds between mesogen and PMHS which results in longer glassy plateau, and moderate crosslinking benefits the improvement of elastic moduli of LCEs. The results obtained in the paper provide a guidance for the molecular design of liquid crystal elastomers.
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