关键词: 红外分光光度法, 计算机模拟, 液晶, 光谱分析, 胆固醇, 胆甾烯, 目标识别因子分析

In this paper, target recognition factor analysis (TRFA) is applied to estimating the component spectras from unknown multicomponent mixture system. With the use of pattern recognition techniques, TRFA derived target vector from the original data. A set of procedures which inlude extracting pure component spectra, spectra searching and standardizing are developed. This method made it possible to complete qualitative and quantitative analysis of an unknown mixture system in the meantime. The computer simulation technique is first used to verify the algorithm, and then the practical data collected from FTIR are also analyzed by this method. Satisfactory results are obtained.

Key words: INFRARED SPECTROPHOTOMETRY, COMPUTERIZED SIMULATION, LIQUID CRYSTAL, SPECTROGRAPHIC ANALYSIS, CHOLESTEROL, CHOLESTENE