天然产物液液萃取模型计算程序的改进与应用  

Improvement and application of the liquid-liquid extraction simulation program of natural products

作　　者：倪力军[1] 张立国[1] 王君华[1] 陆桢勇[1] 

机构地区：[1]华东理工大学化学与制药学院,上海200237

出　　处：《计算机与应用化学》2004年第2期195-200,共6页Computers and Applied Chemistry

基　　金：国家科技部十五攻关项目(2001BA701A04);国家中医药管理局中医药科学技术研究专项(02-03ZP30)

摘　　要：研究目的:对文献建立的天然产物液液萃取模拟程序进行改进,使得界面友好,输入方便。并用于黄芪皂苷、丹参水溶性成分的液液萃取过程模拟,考察了参数初值的适宜范围及溶剂取值方式对模拟结果的影响。方法:改进后的程序以Windows 操作系统为基础,运用可视化程序语言VB 编写整个程序的输入、输出界面,采用For-tran77语言编译液液相平衡计算过程,通过外部程序调用实现两种语言所编制程序的链接。结果和讨论:相分配系数初值一般取>0.5,溶剂取值方式采用固定总溶液体积的方法,可获得较为合理的结果。Objective:The established liquid-liquid simulation program of natural products is improved with a convenient in-terface.Besides,it is also carried out in the extraction of astragalus saponin and water-soluble components of salvia miltior-rhiza,suitable range of initial parameter value and the effect of solvent selecting methods on simulating results are discussedin this paper.Method:On the basis of windows operation system,VB is used to edit the input-output interface while For-tran77 is used for the liquid-liquid phase calculation in the improved program,and interlink between the programs edited bythe two languages is realized through using outer program.Results and Discussion:Usually the initial value of phase distri-bution coefficient is given more than 0.5,and better results will be obtained if the volume of the solvents is given by themethod of fixing the total value of the solvent.

关 键 词：天然产物 液液萃取模型 计算程序 改进 中药材 有效成分 分离 黄芪皂苷 丹参 相分配系数初值 溶剂取值方式 

分 类 号：R284.2[医药卫生—中药学]