Method for detecting near-infrared two-dimensional correlation spectra

Abstract

A method for detecting near-infrared two-dimensional correlation spectra includes the following steps: a near-infrared spectroscopy detector is first set into an operating state, and after being prepared, a sample placed into a temperature-controlling accessory and positioned under a near-infrared detection probe; the temperature-controlling accessory is then utilized to control the temperature; afterwards, variable-temperature detection is carried out to obtain a series of spectrograms, and the spectrograms are digitalized; matlab software is run, and a calculation program is started to work out a dynamic spectrum; a band is selected according to a prompt to work out the synchronous diagrams and asynchronous diagrams of the two-dimensional correlation spectrum; and finally, according to the spectral characteristics in the synchronous diagrams and the asynchronous diagrams, identification or other qualitative analyses are carried out on the sample. The method spreads the absorption peaks of the spectrum on the second dimension, so that the spectral peaks of the near-infrared spectrum are more convenient to assign; by means of an analysis on the correlation between spectral lines, the interaction between different molecules or in molecules can be studied in detail; and by detecting the sequence of spectral intensity change, the process of chemical reaction and the kinetic process of molecular vibration can be effectively studied in detail.

Description

technical field [0001] The invention relates to a method for detecting the near-infrared two-dimensional correlation spectrum of a substance, which can be applied to the fields of medicine, edible oil, petroleum, etc., and a series of near-infrared spectra of such samples are detected by a near-infrared instrument, and processed to obtain a two-dimensional correlation spectrum , showing its spectral characteristics, which can realize the qualitative identification of samples and other mechanism research. Background technique [0002] In recent years, near-infrared spectroscopy has become a very important research and application field due to its fast, simple and non-destructive characteristics. [0003] Traditional spectral analysis methods, such as ultraviolet, visible and mid-infrared light, have limited penetration in opaque samples, and it is difficult to measure many samples without treatment. Relatively speaking, the near-infrared spectrum has a strong penetrating pow...

AI Technical Summary

Problems solved by technology

[0007] The purpose of the present invention is to address the above-mentioned problems and deficiencies, to provide a method for two-dimensional correlation near-infrared spectrum detection of samples, to detect near-infrared spectra at different temperatures after preprocessing the samples, and to calculate dynamic spectra, and further Obtain the synchronous spectrum and asynchronous spectrum of the two-dimensional correlation spectrum, which can improve the resolution of the traditional spectrum, increase the interpretability of the spectral information, display its spectral characteristics, and realize the qualitative identification of samples and other mechanism research. Infrared Spectrum Cannot Intuitively Analyze and Qualitatively Analyze the Shortcomings

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