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Infrared spectral feature based chemical rapid discrimination method and device

A chemical and fast technology, applied in the direction of color/spectral characteristic measurement, measuring device, material analysis by optical means, etc., can solve the problems of weak absorption signal, broadened band, overlapped spectral peak, etc., and achieve strong stability , The device is small, light, and easy to carry

Inactive Publication Date: 2015-05-13
王利兵
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  • Summary
  • Abstract
  • Description
  • Claims
  • Application Information

AI Technical Summary

Problems solved by technology

[0005] In fact, in the infrared absorption region, the absorption signal generated by the vibration of the chemical bond of the hydrogen-containing group is relatively weak, which easily leads to a relatively low sensitivity, resulting in overlapping spectral peaks or broadening of the spectral band.

Method used

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  • Infrared spectral feature based chemical rapid discrimination method and device
  • Infrared spectral feature based chemical rapid discrimination method and device
  • Infrared spectral feature based chemical rapid discrimination method and device

Examples

Experimental program
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Effect test

Embodiment （ 1

[0046] The principal component analysis (PCA) algorithm was used to model the six chemicals and perform qualitative analysis of unknown samples.

[0047] 1. Training set sample preprocessing: select ethyl acetate; diethyl phthalate; diallyl phthalate; ethyl benzoate; methyl benzoate; Processing to obtain the pure products of the above medicines, and five groups of samples were taken for each medicine as the training set;

[0048] 2. Spectrum collection of training set samples: place the training set samples in the sample box 5, cover the sample box cover 4, and collect the absorbance spectrum of the training set samples;

[0049] 3. Use PCA to train the model: The central purpose of PCA is to reduce the dimensionality of the data and convert the original variables so that a few new variables are linear combinations of the original variables. At the same time, these variables should express as much as possible of the original variables. data characteristics without loss of inf...

Embodiment （ 2

[0054] Using Fisher's linear discriminant algorithm to establish models of six categories of chemicals and perform qualitative analysis of unknown samples

[0055] 1. Sample preprocessing of the training set: select more than 20 chemicals, a total of six categories (acids, aldehydes, ketones, esters, alcohols, plasticizers) for enrichment processing to obtain the pure products of the above drugs as the training set;

[0056] 2. Spectrum collection of training set samples: same as in example (1) step 2;

[0057] 3. Use Fisher's linear discriminant training model: the basic idea of ​​linear discriminant analysis is to project high-dimensional pattern samples into the best discriminant vector space to achieve the effect of extracting classification information and compressing the dimension of feature space. The new subspace has the largest inter-class distance and the smallest intra-class distance, that is, the samples have the best separability in this space, and the distance in...

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Abstract

The invention relates to an infrared spectral feature based chemical rapid discrimination method and device. The device consists of an optical path module composed of a light source, a spectrometer and optical fiber, a mainboard unit, a touchable display screen, and a software analysis unit, wherein the analytical algorithm part applies a chemometrics method, and the model establishment and replacement can be very convenient. The method and the device are mainly used for automatic collection and rapid discrimination of chemical spectral information, and the device has the characteristics of portability, strong stability, and humanized interactive interface, etc.

Description

technical field [0001] The invention relates to a method and device for rapid identification of chemicals based on infrared spectrum characteristics, which can realize rapid screening for specific types of chemicals. The device is composed of a light source, a spectrometer, an optical module composed of optical fibers, a main board unit, a touch screen, and a software analysis unit. Among them, the analysis algorithm part uses a variety of chemometric methods, and the establishment and replacement of the model is very convenient. The method and device are mainly applied to the automatic collection and rapid identification of chemical spectral information, and have the characteristics of portability, strong stability, and a humanized interface. Background technique [0002] Due to the difference in the structure and properties of substances, different substances have different light absorption or light radiation. People use this difference to distinguish substances from each ...

Claims

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Application Information

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Patent Type & Authority Applications(China)
IPC IPC(8): G01N21/35G01N21/359
Inventor 王利兵于艳军韩伟苏荣欣熊中强
Owner 王利兵
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