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本文提出了一个可以进行红外光谱解析和谱库检索的计算机程序。该解析程序将红外特征吸收频率、色谱保留指数和谱库检索结果三者结合起来,可迅速而准确地鉴定色谱峰,并能绘制出各色谱馏出物的吸收光谱图和谱库中最近似的参比光谱图,核对方便。当库存光谱数据资料中没有待检索的化合物时,仍能根据特征吸收频率和保留值数据作出较为正确的判断。此法用于分析煤焦油洗油馏份,可得到满意的解析结果。
This paper presents a computer program that can perform IR spectral analysis and library search. The resolver combines the infrared characteristic absorption frequency, chromatographic retention index, and library search results to quickly and accurately identify the chromatographic peaks and to map the absorbance spectra of each chromatographic distillate and the most approximate The reference spectrum, easy to check. When there is no compound to be retrieved in the inventory spectral data, a more accurate judgment can still be made based on the characteristic absorption frequency and retention data. This method is used to analyze coal tar oil washing fractions, to obtain satisfactory analytical results.