Coal molecule model establishing method based on multiple characterization means

A molecular model and method-building technology, applied in the direction of material analysis, molecular design, and material analysis through optical means, can solve difficult problems such as distribution forms and mutual combinations

Active Publication Date: 2021-06-04
CHINA UNIV OF MINING & TECH
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Problems solved by technology

but no matter 13 C-NMR, FTIR or XRD and HRTEM are difficult to directly analyze the distribution and mutual combination of different organic components in coal samples

Method used

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  • Coal molecule model establishing method based on multiple characterization means
  • Coal molecule model establishing method based on multiple characterization means
  • Coal molecule model establishing method based on multiple characterization means

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Embodiment 1

[0022] A method for establishing a coal molecular model based on multiple characterization means, comprising the following steps:

[0023] The first step, coal sample pretreatment and elemental and industrial analysis: grind the coal sample to make the particle size reach 200 mesh, remove the moisture existing in the surface structure of the coal sample by vacuum drying, and carry out the pretreatment of the coal sample Industrial analysis and elemental analysis obtain the content of ash, moisture, volatile matter and C, H, O, N and S elements in coal.

[0024] According to the national standard GB / T476-2008, element analysis and industrial analysis were carried out on Ningdong coal samples. The results of industrial analysis and elemental analysis of coal are shown in Table 1.

[0025] Table 1 Industrial analysis and elemental analysis of Ningdong coal

[0026]

[0027] After obtaining the elemental analysis results of Ningdong coal, the relative quantity of each atom in...

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Abstract

The invention provides a coal molecular model establishing method based on multiple characterization means. The method comprises the following steps: (1) carrying out industrial analysis, elemental analysis, <13>C-NMR analysis, FTIR absorption characteristic analysis, surface structure characteristic analysis, nuclear magnetic resonance analysis and infrared spectroscopic analysis on a coal sample; (2) establishing a relation between a skeleton structure and surface functional groups of the coal; (3) obtaining molecular structure parameters of the coal sample; and (4) constructing a molecular structure model of the coal sample by using ACD / ChemSketch10.0 software. The structural data of the coal sample is obtained through a plurality of physical and chemical analysis experiments, and by combining the analysis result, molecular composition structures of the coal samples with different metamorphic degrees are researched by virtue of physical and chemical analysis methods such as <13>C-NMR, FTIR and a chemical experiment method; and the establishment of the coal molecular structure model has milestone value for the development of the coal chemical industry, and also has important reference significance for knowing the combustion characteristics of the coal sample and improving the combustion efficiency.

Description

technical field [0001] The invention relates to a characterization technology for the structure and distribution of organic matter components in coal samples, in particular to a coal molecular model establishment method based on various characterization means. Background technique [0002] Coal is a complex mixture of various substances, mainly composed of organic matter. Among them, the organic matter is mainly composed of three elements, C, H, and O, and also contains a small amount of S, N and other elements. During the combustion of coal, a large amount of emissions containing pollutants such as smoke, flue gas and slag will be produced. The smoke contains fly ash and carbon particles and other particles. In addition to CO 2 , CO also includes SO 2 and NO X and other harmful gases, causing serious damage to the natural environment and ecological balance. The discharge of these pollutants is mainly due to a series of chemical reactions in the coal combustion process t...

Claims

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Application Information

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IPC IPC(8): G01N21/3563G01N24/08G01N33/22G16C20/50
CPCG01N21/3563G01N24/087G01N33/222G16C20/50G01N2021/3595
Inventor 崔馨赵培涛严煌杨锐
Owner CHINA UNIV OF MINING & TECH
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