Studies of cyclic and linear poly(dimethyl siloxanes): 10. Calculations of radii of gyration
Studies of cyclic and linear poly(dimethyl siloxanes): 10. Calculations of radii of gyration
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DOI：
10.1016/0032-3861(83)90023-x
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发表时间：
1983-04
期刊：
影响因子：
4.6
通讯作者：
C. Edwards;D. Rigby;R. Stepto;K. Dodgson;J. A. Semlyen
中科院分区：
文献类型：
--
作者：
C. Edwards;D. Rigby;R. Stepto;K. Dodgson;J. A. Semlyen
采用Flory、Cresenzi和Mark的旋转同分异构态模型，设计了计算环状聚二甲基硅氧烷(PDMS)构象相关性质的蒙特卡罗方法。对含有8-100个骨架原子的未受体积效应扰动的环状分子的均方回转半径进行了计算，并与相应的未受扰动的链状分子的<；S 2 L的计算值进行了比较。对w⩽为2 4的环[(CH3)2 SiO]w2也采用了精确计数方法，得到的结果与蒙特卡罗方法得到的结果基本一致.S与L、S与30的比值接近于2.0，与理论预测一致。
A Monte Carlo method has been devised for calculating the conformation-dependent properties of cyclic poly (dimethyl siloxanes)(PDMS), using Flory, Crescenzi and Mark's rotational isomeric state model. Calculated values of the mean-square radii of gyration< s 2 r> of ring molecules unperturbed by excluded volume effects and containing 8–100 skeletal atoms are compared with the< s 2 l> values for the corresponding unperturbed chain molecules. Exact enumeration methods were also employed for rings [(CH 3) 2 SiO] w 2 with w⩽ 24 and the results found to be in close agreement with those obtained by the Monte Carlo method. The ratio< s 2 l>< s 2 r> was found to attain limiting values close to 2.0 for w> 30, in agreement with theoretical predictions.