The results showed that the phase transition of model compounds and polymers depend upon molecular structure, conjugated chain and molecular flexibility.
研完了分子链的柔性、分子结构和共轭度对中介相转变温度的影响。
In this paper, FENE bead-spring chain was used to model the polymer molecular. The migration motion and the configuration change of the FENE chain were simulated for different initial conditions.
在本文的数值计算中，采用了有限伸展非线性弹簧模型（FENE）珠-簧链来模拟聚合物分子链，通过计算得到了FENE链在不同初始条件下的迁移运动及其构形变化。
In this paper, FENE bead-spring chain was used to model the polymer molecular. The migration motion and the configuration change of the FENE chain were simulated for different initial conditions.
在本文的数值计算中，采用了有限伸展非线性弹簧模型（FENE）珠-簧链来模拟聚合物分子链，通过计算得到了FENE链在不同初始条件下的迁移运动及其构形变化。
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