Molecular dynamics simulation for conformation and dynamic properties of single polymer chain in solution

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.