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我们在半刚性链模型的基础上，计算了片晶折叠链表面的界面自由能。自由能中的能量和熵的贡献分别来自排除体积相互作用和折叠表面链的loop构象熵的贡献。该体系具有链刚性、loop跨度(即末端距)和晶格常数三个独立的长度尺度。
基于半刚性链模型的高分子结晶理论
【摘 要】
：
我们在半刚性链模型的基础上，计算了片晶折叠链表面的界面自由能。自由能中的能量和熵的贡献分别来自排除体积相互作用和折叠表面链的loop构象熵的贡献。该体系具有链刚性
【机 构】
：
北京师范大学物理系,北京,100875北京交通大学理学院,北京,100044
【出 处】
：
中国化学会2016软物质理论计算与模拟会议
【发表日期】
：
2016年8期
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