基于PTGC保留时间预测的气质联用系统虚拟实验室建设研究

该文主要探究气质联用系统虚拟实验室的构建方法与应用效果。虚拟实验室是参照气质联用仪的物理结构建立的,由虚拟仪器、虚拟环境、虚拟工作站等构成,可用于待测样品的定性和定量分析,具备气质联用仪的绝大多数功能,但是具有使用成本更低、操作更加简便、支持二次开发等优势。选择甲苯、乙苯、辛醇混合物样品,分别使用气质联用仪和气质联用系统虚拟实验室进行测定,结果表明实测值与模拟值的误差可以控制在0.5%以下,表明该文设计的虚拟实验室精度较高,可用性较强。

This paper mainly explores the construction method and application effect of the virtual laboratory of GC-MS system.The virtual laboratory is established with reference to the physical structure of GC-MS,and is composed of virtual instrument,virtual environment,virtual workstation and so on.It can be used for qualitative and quantitative analysis of samples to be tested,and has most of the functions of GC-MS,but it has the advantages of lower cost,easier operation and supporting secondary development.The mixture samples of toluene,ethylbenzene and octanol were determined by GC-MS and GC-MS system virtual laboratory respectively.The results show that the error between measured value and simulated value can be controlled below 0.5%.The results show that the virtual laboratory designed in this paper has high precision and strong availability.