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将模糊集理论方法用于直链聚合物的结构性质关系建模,构造了两个模型。一个是直链聚合物的基团法描述的结构参数与其12种性质间定量关系的模型(模型1F);一个是直链聚合物的连接性指数描述的结构参数与其12种性质间定量关系的模型(模型2F)。两个模型给出的12种性质的拟合误差(拟合值与实验值间的标准偏差)分别是:V(298K)为15.1(模型1F)/58.4(模型2F)cc/mole,E_(cob)为6.580/17.838KJ/mole,δ为0.8225/3.2168(J/cc)~(0.5),F_d为274/491 J~(0.5)cm~(1.5)/mole,T_g为30/77 K,P_s为23/66(cc/mole)(dyn/cm)~(1/4),n为0.0125/0.0951,ζ为9/24 10~(-6) cc/mole,U_R为570/1240 cm~(10/3)/(sec~(1/3)mole),U_H为549/1428 cm~(10/3)/(sec~(1/3) mole),H_(ηsum)为511/1729 gJ~(1/3)/mole~(4/3),Y_(d,1/2)为10.5/27.1K kg/mole。结果表明,所建立的模型可用于预测,且为聚合物结构性质关系建模引入了一个新的数学工具。
The fuzzy set theory method is used to model the structural properties of linear polymers, and two models are constructed. One is the model (F 1 F) of the quantitative relationship between the structural parameters and its 12 properties described by the group method of linear polymers; the one is the quantitative relationship between the structural parameters described by the connectivity indices of linear polymers and their 12 properties Model (Model 2F). The fitting errors for the 12 properties given by the two models (standard deviation between the fit and the experimental values) are: V (298K) 15.1 (model 1F) /58.4 (model 2F) cc / mole, E_ (0.5) cm ~ (1.5) / mole, T_g was 30/77 K, P_s is 23/66 (dyn / cm) ~ (1/4), n is 0.0125 / 0.0951, ζ is 9/24 10 ~ (-6) cc / mole, U_R is 570/1240 cm ~ (10/3) / (sec ~ (1/3) mole), U_H is 549/1428 cm ~ (10/3) / (sec ~ (1/3) mole) ~ (1/3) / mole ~ (4/3), Y_ (d, 1/2) was 10.5 / 27.1 K kg / mole. The results show that the established model can be used for prediction, and a new mathematical tool is introduced for the modeling of polymer structural properties.