气相色谱仪及其实验过程的计算机仿真研究

Simulation of Gas Chromatography and Its Experimental Process

用系统工程的分析方法建立了气相色谱仪及气 液色谱过程的动态仿真模型。模型包括物料平衡方程和相平衡方程。该模型将色谱柱中的各组分看作一个整体系统 ,并在相平衡方程式中考虑了各组分的非理想性。基于仿真平台 ,用该模型可进行稳态和非稳态条件下各组分浓度沿GC柱随时间的变化 ,并据此作出谱图。用上述模型模拟了正丙醇、正丁醇和正戊醇等正构醇的GC分离 ,研究了进样量、载气流速和色谱柱塔板数对仿真谱图的影响。而且 ,还对色谱过程中的异常情况如载气没有平稳时进样、非正常连续进样等进行了仿真探讨。仿真程序用C ++语言编写 ,在Windows 98环境下用WatcomC ++环境进行调试。运行环境为Windows 98或Windows 98下的局部网络环境。

A dynamic simulation model for the gas chromatography (GC) and its experimental process was developed by using the analytical method of process system engineering. This model consists of the mass balance equations and the phase equilibrium equations. The components in the GC column are regarded as a whole system, and the nonideal properties of the components are taken into account in the phase equilibrium equations. With this model and the simulator, the concentration change along GC column can be calculated under the steady state and dynamic conditions, and the chromatogram can be provided. By using the above mentioned model, the simulation of GC separation of the n alcohol series is realized. The effects of the sample size, the flow rate of the carrier gas and the plate numbers of the column on the simulation chromatogram are studied. Furthermore, the abnormal situation in GC process such as the sample injection to the unsteady carrier gas and injecting the sample abnormally are analyzed. The simulation program is written with C++ language based on platform mode and debugged with Watcom C++. It can be run under Windows 98 or Windows NT.