本文运用计算机模拟技术对红外谱图进行吸收峰的剥离和模拟 ,用 VB语言编制了吸收峰的剥离程序 ,并用实验谱图对所编程序进行了检测。得到了从谱图直接读峰和模拟所得峰位一致的结果 ,且模拟谱可以得到更为详尽的吸收峰信息 ,如弱强度吸收峰及重叠峰等。验证了剥离程序的可靠性 ,为红外谱线的归属和化合物结构分析提供了更加丰富的信息 In this paper, the absorption peaks of infrared spectra were stripped and simulated by computer simulation technique. The stripping procedure of absorption peak was compiled by VB language, and the program was tested by the experimental spectrum. The results obtained from the direct read peak of the spectrum and the peak obtained from the simulation are obtained, and the simulated spectrum can obtain the more detailed absorption peak information, such as the weak intensity absorption peak and the overlapping peak. The reliability of the stripping procedure was verified, providing more information on the assignment of infrared spectra and the structural analysis of compounds