Estimation of critical properties of high boiling substances including biological/biochemical compounds and other natural products

摘要：

Different estimation methods for the critical properties and the acentric factor of normal and heavy/complex compounds such as biological/biochemical substances and natural products are proposed, in which the normal boiling temperature Tb, together with either the BONDI molecular volume and surface parameters or the liquid molar volume and the refractive index are used as input quantities. Additionally, various estimation strategies for Tb are suggested if its experimental values are unavailable.

关键词： critical properties acentric factor normal boiling temperature estimation

作者: Wei-Rong Ji D.A.Lempe

作者单位: College of Chemical Engineering and Materials Science, Zhejiang University of Technology, Hangzhou 3 Department of Engineering Science, Martin-Luther University of Halle-Wittenberg,D-06099, Halle, Germ

会议类型: 国际会议

会议名称: The 3rd International Conference of Molecular Simulations and Applied Informatics Technologies(第三届国际分子模拟与信息技术应用学术会议)

会议地点: 杭州

会议语种:英文

页码: 983-998

在线出版日期: 2007-04-01（万方平台首次上网日期，不代表论文的发表时间）