COMPUTER SIMULATION OF POLYMER SOLUTION THERMODYNAMICS

• 来源期刊: 高分子科学（英文版）
• 学科: 化学
• 年，卷（期）: 1998,（2）
• 页码范围: 97-105
• 页数: 9页
• 分类号: O6
• 语种: 英文

摘要

The statistical counting method for the computer simulation of the thermodynamic quantities of polymer solution has been reviewed. The calculating results for a single athermal chain confirm the theory of the renormalization group. The results for the athermal solution are consistent with the scaling law of the osmotic pressure with the exponent 2.25. The results for a single chain with the segmental interaction are in a good agreement with the exact results obtained by the direct counting method. The results for the polymer solution show us that the Flory-Huggins parameter is strongly dependent on both the polymer concentration and the interaction energy between segments.