前言紫外、可见、红外光谱在化学成份定量分析上的应用已十分广泛。计算机不仅可以扩大它们的应用范围,提高分析效率,而且对于混合多组份样品可以不经或者简化分离手续而能同时定量出各组份的含量。早期和近期文献中均曾介绍了一些计算方法,但大都偏重于单一算法,而且缺乏各方法间的全面比较。对于混合成份中不遵守比尔定律的非线性成份更缺乏深入的研究。因此进一步研究和讨论各种方法的适应性和优缺点,确定适当的计算机定量分析方法是十分重要的。本文在整个吸收光谱的波段内,分别用经典法、最小二乘法、线性和非线性规划法在计算机上定量处理三种实际混合样品的谱图,一方面是研究了设立方程数目、各方程相应波长位置的选择、计算时间、方程中各参数由于测量误差等原因引起的影响,由此对各个方法进行了比较。另一方面研究了混合物样品中不 Foreword UV, visible, infrared spectroscopy in the chemical composition of the quantitative analysis of the application has been very extensive. Not only can computers expand their range of applications and improve the efficiency of analysis, but also for the mixed multi-component samples can be without or through the separation process can simultaneously quantify the content of each component. Some methods of calculation have been introduced in both early and recent literature, but most have focused on single algorithms and lack a comprehensive comparison of methods. There is a lack of in-depth research on the non-linear components of mixed components that do not comply with Bill’s law. Therefore, to further study and discuss the adaptability, advantages and disadvantages of various methods, it is very important to determine the proper method of computer quantitative analysis. In this paper, we quantitatively process the spectra of three kinds of mixed samples by the classical method, the least squares method, the linear and the nonlinear programming methods on the whole absorption spectrum. On the one hand, we study the number of established equations, the corresponding equations The choice of the wavelength, the calculation time, the influence of various parameters in the equation due to the measurement error and so on, thus each method is compared. On the other hand studied the mixture samples not