三维HPCE虚拟实验室中的理论模型构建

The Construction of Theoretical Models in HPCE Virtual Laboratory

基于毛细管区带电泳理论,提取相关影响因素,如温度、电压、pH、进样压力以及进样时间,通过整合与优化,建立了可在虚拟实验室中模拟的毛细管电泳理论模型,其中包括毛细管电泳出峰时间模型、半峰宽与出峰时间关系模型以及进样压力和进样时间与峰面积关系模型。进而通过理论模型与程序之间的算法转换编写了模拟出峰程序,在此基础上开发了功能强大的毛细管电泳工作站。以甘草酸类化合物为示踪样品进行实验,研究了分离电压、温度、进样压力、进样时间以及缓冲溶液pH对毛细管电泳出峰的影响,将虚拟实验结果与现实实验结果进行比较。结果表明,在一定的参数范围内,虚拟结果与现实结果相近,所提出的模型能很好地反映各种参数条件对毛细管电泳出峰的影响规律。

Based on the capillary zone electrophoresis theory,we extracted the relevant affecting factors such as temperature,voltage,pH,inlet sample pressure and injection time.Through the integration and optimization,we established models for capillary electrophoresis theory,and these models can be used to simulate in the virtual Lab.They Include peak time model of capillary electrophoresis,the relationship model of half peak width and peak time,and the relationship model among injection pressure,injection time and peak area.Then the peak program was developed by the algorithms conversion between theoretical model and programs.On this basis,we developed a multifunctional capillary electrophoresis workstation.Experiment of Glycyrrhizic acid compounds were completed,the influence on the peak of capillary electrophoresis of separation voltage,temperature,injection pressure,injection time and buffer solution pH were researched.We Completed the simulation in the virtual laboratory and compared virtual results with real data.It turned out that in a certain range of parameters,virtual results were close to the real ones.The presented model can reflect the rule of the influence of various parameters on the peak capillary electrophoresis well and can offer an guide for building other HPCE virtual laboratory.