中文摘要：

运用分子动力学方法对高分子稀溶液进行了模拟,分析了链长、溶液密度对高分子链构象参数和动态特性的影响。模拟结果表明：高分子链的构象参数随溶液密度的增大而减小,随着链长的增加逐渐增大,但增大的倍数逐渐减小;链长的增加和溶液密度的增大限制了高分子链的随机运动能力,但当链长增加到一定程度后,链长对随机运动能力的影响逐渐减弱;高分子链的松弛时间随着链长的增加和溶液密度的增大而增大。

英文摘要：

Molecular dynamics simulation was adopted to study a single polymer chain in solution,and the conformation parameters and dynamic properties of the chain with different lengths and solution densities were obtained.Results indicate that he mean square radius of gyration and the mean square end-to-end distance decrease with increasing solution density.They also increase with increasing chain length,but the increment is gradually reduced.The ability of random movement of the polymer is limited by increasing both the chain length and solution density.However,the influence is weakened when the chain length is further increased.The relaxation time of the polymer chain increases with increasing chain length and solution density.