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Pesticide identification method based on terahertz theoretical simulation spectrum

A terahertz, terahertz time domain technology, applied in the measurement of color/spectral characteristics, etc., to reduce the difficulty and complexity, improve the efficiency and accuracy of identification

Inactive Publication Date: 2012-10-24
CHINA JILIANG UNIV
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Problems solved by technology

[0004] Although terahertz spectroscopy has a series of unique properties and advantages compared with ultraviolet-visible spectroscopy, infrared spectroscopy, and Raman spectroscopy, the application of terahertz spectroscopy detection is still in the research stage, and effective detection methods and data processing technologies have become terahertz spectroscopy technology. Technology that needs to be broken through in the field of unknown detection

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  • Pesticide identification method based on terahertz theoretical simulation spectrum
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  • Pesticide identification method based on terahertz theoretical simulation spectrum

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Embodiment Construction

[0035] The invention is further illustrated by way of examples and description of the drawings.

[0036] A pesticide identification method based on terahertz theoretical simulation spectrum, comprising the following steps:

[0037] Step 1: Build a pesticide sample fingerprint library:

[0038] The triazole fungicides triadimefon and propiconazole with similar structures were selected as the pesticide sample set. With the help of Dmol in the chemical theory simulation software Materials Studio 3 program, the theoretical simulation spectrum analysis of the fungicides triadimefon and propiconazole crystal molecules were carried out respectively, the terahertz theoretical simulation absorption spectra of these two triazole fungicides were obtained, and the theoretical simulation absorption spectra of the two triazole fungicides were extracted. The characteristic absorption peak of the spectrum, and the establishment of the sample standard characteristic absorption peak finge...

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Abstract

The invention discloses a pesticide identification method based on terahertz theoretical simulation spectrum. The method comprises the following steps of: obtaining a pesticide sample absorption spectrogram from the angle of theoretical simulation spectral analysis, and establishing a sample standard characteristic absorption peak fingerprint database X; collecting the terahertz time-domain spectrum of the unknown sample to be detected by use of a terahertz time-domain spectrum device; calculating the experimental absorption spectrogram of the unknown sample to be detected by use of the Fresnel formula; performing second-order differential processing of the experimental absorption spectrum of the unknown sample to be detected to obtain the second-order derivative absorption spectrogram of the unknown sample to be detected; extracting the characteristic absorption peak Y of the second-order derivative absorption spectrogram of the unknown sample to be detected; and performing the best match screening of the characteristic absorption peak Y of the second-order derivative absorption spectrogram of the unknown sample to be detected according to the established sample standard characteristic absorption peak fingerprint database X, so as to identify the unknown sample. The method disclosed by the invention reduces the difficulty and complexity of data processing, establishes a pesticide sample fingerprint database and improves the identification efficiency and accuracy.

Description

technical field [0001] The invention belongs to the field of terahertz non-destructive testing, and relates to a pesticide identification method, in particular to a pesticide identification method based on terahertz theoretical simulation spectrum. Background technique [0002] Terahertz (THz) waves refer to electromagnetic waves with frequencies in the range of 0.1 to 10 THz (1 THz = 10 12 Hz). THz spectrum contains a wealth of physical and chemical information, which can be used for analysis and identification of THz wave spectral response, dynamic characteristics, molecular configuration and conformation of a large number of organic molecules; the photon energy of terahertz radiation is low, and will not affect the Harmful ionization of the measured substance can be used for non-invasive and non-destructive detection of substances; terahertz radiation has good projection to a large number of dielectric materials and solid materials. A series of unique properties of te...

Claims

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Application Information

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Patent Type & Authority Applications(China)
IPC IPC(8): G01N21/31
Inventor 王强李兰玉马冶浩
Owner CHINA JILIANG UNIV
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