Full Automation of Infrared Qualitative Analysis of Binary Mixtures by Use of a Spectral Curve Compilation

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A project for the compilation of infrared spectral curves is now in progress at the National Chemical Laboratory for Industry, Japan. On the basis of this compilation, a computer program has been developed for the full automation of infrared qualitative analysis of binary mixtures by means of the correlation coefficient method. The program has been applied to six binary mixtures. Four of them had resolutions as high as that in file spectra, and the other two, which were prepared from the former by convolution, had lower resolution. The correct answers have been obtained automatically in all cases. The CPU time necessary for the running of this program was from 60 to 90 seconds with the use of a FACOM M200 computer system.

Keywords: Computer, applications; Data retrieval; Infrared spectroscopy; Qualitative analysis

Document Type: Research Article

DOI: http://dx.doi.org/10.1366/0003702844554864

Affiliations: National Chemical Laboratory for Industry, Yatabe, Ibaraki 305, Japan

Publication date: September 1, 1984

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