杭州师范大学学报（自然科学版）Issue(2)：113-122,10.DOI:10.3969/j.issn.1674-232X.2014.02.001
基团贡献法预测硅烷及硅氧烷的折射率
Prediction for the Ref ractive Index of Silane and Siloxane by Group Contribution Method
摘要
Abstract
110 kinds of silane and siloxane chemicals have been divided into 10 kinds of basic group structure based on the group contribution method .Taking the minimum residual sum of squares between the literature value of molar fraction as well as molar volume and the model predicted value as the objective functions respectively ,the molar fraction and molar volume of each group are obtained by optimal combination algorithm .The values of molar refraction ,molar volume and refractive index of each compound are estimated ,and the deviations between the estimated values and literature values are investigated and compared .The results indicate that deviations are small ,which proves that the estimated molar refraction and molar volume of each group can be beneficial to the prediction and estimation for the refractive index of silane or siloxane with determined structure .关键词
基团贡献法/摩尔折射度/摩尔体积/折射率/硅烷/硅氧烷Key words
group contribution method/molar refraction/molar volume/refractive index/silane/siloxane分类
化学化工引用本文复制引用
程大海,伍川,董红,武侠,张引弟..基团贡献法预测硅烷及硅氧烷的折射率[J].杭州师范大学学报（自然科学版）,2014,(2):113-122,10.基金项目
杭州市社会发展科研攻关专项（20130533B16）；石油和化工行业科技指导计划资助项目（2011-07-06）． （）
