生物质甘油醚类调和燃料的QSPR研究  

QSPR STUDY ON BIOMASS BLENDED FUELS OF GLYCEROL ETHER

作　　者：李浔[1] 贺登辉[1] 徐艳[1] 舒逢遥 卢思 Li Xun;He Denghui;Xu Yan;Shu Fengvao;Lu Si(College of Chemical and Biological Engineering, Changsha University of Science and Technology, Changsha 410004. China)

机构地区：[1]长沙理工大学化学与生物工程学院,长沙410004

出　　处：《太阳能学报》2019年第3期856-861,共6页Acta Energiae Solaris Sinica

基　　金：国家自然科学基金(21376241)

摘　　要：基于距离矩阵建立单拓扑指数X,根据Grumberg-Nissan等公式建立并运用新的混合拓扑指数G对甘油醚类调和燃料的相关理化性质(密度、运动粘度、低热值)进行回归分析,建立定量结构-性质关系(QSPR)模型。所建QSPR模型皆具有良好的稳定性与预测能力,能较好地反映甘油醚类调和燃料的相关理化性质的变化规律。The blended fuel of the glycerol ether is a new way to effectively use "biomass glycerin". In this paper,the distance matrix based on molecular structure established the single topological index X,then according to the GrumbergNissan formula to establish and use the new mixture topological index G with the related physical and chemical properties of blended fuels of the glycerol ether(density,kinematic viscosity,calorific value)for regression analysis,and models of quantitative structure-property relationship(QSPR)was established. The related QSPR models has good prediction ability and stability. The change rule of physicochemical properties of blended fuels of the glycerol ether can indicated very well.

关 键 词：甘油醚 生物质 调和燃料 定量结构-性质关系 拓扑指数 

分 类 号：O641[理学—物理化学]