Flammable liquid flash point prediction method based on Raman spectroscopy

A technology of Raman spectroscopy and flammable liquids, applied in Raman scattering, material excitation analysis, etc., can solve the problems of test sample damage, test environment pollution, etc.

Inactive Publication Date: 2012-10-03
SHANGHAI RES INST OF CHEM IND +1
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  • Description
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Problems solved by technology

However, no matter what method is used, it will pollute the test environment and cause damage to the test samples. At the same time, the test also has a strong dependence on the equipment. Therefore, in the field detection, instant inspection, rapid judgment and online evaluation The test method has strong limitations

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  • Flammable liquid flash point prediction method based on Raman spectroscopy
  • Flammable liquid flash point prediction method based on Raman spectroscopy
  • Flammable liquid flash point prediction method based on Raman spectroscopy

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Experimental program
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Embodiment

[0078] (1) Select 52 kinds of fatty ester substances as samples, and query the flash point values ​​of 52 kinds of ester substances from the SIGMA website as literature values. The specific sample information is shown in Table 1:

[0079] Table 1

[0080]

[0081]

[0082] (2) Extract the Raman spectra of the substances selected in step (1) from the SDBS spectral library, and select 45 of them as samples in the training set. The flash point values ​​of the samples in the training set range from -19°C to 120°C; as a sample for the prediction set.

[0083] (3) Training set sample data processing;

[0084] The range of the Raman spectrum in the patent of this invention is 150cm -1 -3950cm -1 , divide the spectrum every 2cm -1 Take points, so that the original continuous spectrogram can be represented by 1900 discrete points, and each point position is regarded as a variable, so the training set sample has 1900 variables, and the number of samples is 45, so the training ...

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Abstract

The invention relates to a flammable liquid flash point prediction method based on Raman spectroscopy, which comprises the following steps that: 1) a computer establishes and optimizes a partial least square - Raman (PLS-RAMAN) prediction model of flammable liquid flash points; 2) a Raman spectrometer acquires Raman spectrum information of an unknown substance and transmitting the Raman spectrum information to the computer; and 3) the computer matches the received Raman spectrum information with a standard spectrum database of the computer to obtain the closest standard spectrum, and a flash point corresponding to the closed standard spectrum is obtained according to the prediction model and is used as the flash value of the unknown substance. Compared with the prior art, the flammable liquid flash point prediction method based on Raman spectroscopy has the advantages of rapid detection speed, less environmental pollution, small instrument dependence and the like.

Description

technical field [0001] The invention relates to a method for predicting the flash point of flammable liquids, in particular to a method for predicting the flash point of flammable liquids based on Raman spectral analysis technology. Background technique [0002] Liquid hazardous chemicals have physical and chemical characteristics such as flammability, explosion, poison, corrosion, etc., so there are potential high risks and high hazards in the production, transportation, use, and storage of liquid hazardous chemicals, so fast and accurate judgment The flammability hazard of chemicals is the top priority of safe production. [0003] The main references for judging the hazards of liquid chemicals are flash point value, initial boiling point, sample appearance, composition, etc., and the most important judgment basis is flash point value. Flash point is an important physical quantity to measure the flammability and explosiveness of organic substances. According to the flash p...

Claims

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Application Information

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Patent Type & Authority Applications(China)
IPC IPC(8): G01N21/65
Inventor 汪丹刘刚张小沁薛晓康舒耀皋储德韧
Owner SHANGHAI RES INST OF CHEM IND
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