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用极限动力学模型研究了C60 分子在有序 无序相变和玻璃态相变温度区间取向角为 98°和 38°的取向概率与温度的关系 .计算结果在玻璃态相变点附近的 85K ,90K和有序 无序相变点的 2 6 0K分别与实验值相吻合 ,取向概率对实验值更精确的拟合及其对温度的二阶导数预言玻璃态相变点在 84K .导出了弛豫规律 ,其结果表明 :双能级的C60 分子从非平衡态到平衡态的弛豫行为与非指数因子 β有关 ,其总的弛豫时间决定于其中一个较短的弛豫时间 ,展宽指数形式保持不变 .讨论了KWW方程的非指数因子 β与分子间协同作用的关系 ,发现与双取向态间的能级差有关 ,计算值与实验结果相同 .
The ultimate kinetic model was used to study the relationship between the orientation probability and the temperature of the C60 molecule at an orientation angle of 98 ° and 38 ° between the ordered disordered phase transition and the glass transition temperature. The calculated results are in the range of 85K , 90K and ordered disorder transition point of 260K respectively agree well with the experimental values. The more accurate fitting of the orientation probability to the experimental value and the second derivative of the temperature predicted the glass transition point at 84K. Relaxation results. The results show that the relaxation behavior of the two-level C60 molecule from non-equilibrium state to equilibrium state is related to the non-exponential factor β. The total relaxation time is determined by one of the shorter relaxation times, broadening The exponential form remains unchanged.The relationship between the non-exponential factor β of the KWW equation and the synergistic effect between molecules is discussed, and it is related to the energy difference between the bi-orientation states. The calculated value is the same as the experimental one.