含有未知成份混合物的紫外-红外光谱的计算分析

COMPUTER ANALYSIS OF UV-IR SPECTRA FOR MIXTURES CONTAINING A UNKNOWN COMPONENT

本文研究在混合物中只有一部分组份为已知物,而同时又含有未知化合物,如草药等其它天然物质的紫外-红外光谱的计算机定量分析方法。该方法可不经化学分离,仅由实际绘制的光谱图,根据线性规划法计算机求解来定量已知成份。同时又可由计算机直接得到未知成份的差谱,为未知成份的定性提供依据。

For mixtures containing a unknown component,computer quantitative analysis has been investigated.It can be applied to herbal drugs,synthetic material,environmental monitor and biochemical samples etc.This method is based on UV or IR spectra of mixtures.Firstly,the quantities-of known components are calculated by linear-programming method,then the subtrac-tive spectrum of a unknown component is solved on computer.