非线性规划修饰单纯形法确定气液填充色谱最佳分离条件的研究

Computer Oqtimization of Packed Gas-Liquid Chromatographic Separation Using Modified Simplex

最优化方法是近二、三十年来随着电子计算机的发展而兴起的一门新的应用数学学科。本文用最优化方法中的非线性规划修饰单纯形法，在给定的柱温和流速所确定的有界二维平面内，用计算机寻找满足最难分离溶质对的最佳色谱分离条件，实验结果表明，对于给定的填充柱和给定的分析样品，该方法可以在很短的时间内，提供难分离溶质对最佳色谱折可靠。一般由计算机预测的最佳色谱条件下难分离溶质对的分离度都优于预测前的分离度，且计算机对各溶质保留时间的预测值与实测值的相对偏差δ≤2.5％。

The modified simplex was used to locate the optimum column temperature and flowrate of the earrier gas in pa :ked GL chromatography. An approximate equation of plate height and a non-linear programming model for optimization are presented in this paper. It has been shown tnat the plate heights of all solutes computed using the equation are approaching those tested by experiments under any random separation conditions, and that the resolutions between 3 solute pairs which are hard to separate are much improved under the predicted optimum conditions and the relative deviations between the retention times predicted by computer and those obtained through the experiments for all solutes are less than