Method for constructing kerogen average molecular structure model

A technology of molecular structure and construction method, which is applied in the fields of analyzing materials, using wave/particle radiation for material analysis, measuring devices, etc., and can solve problems such as loss of structural information, failure to reflect the average molecular structure of kerogen, and destruction of the chemical structure of kerogen.

Inactive Publication Date: 2018-11-16
CHINA UNIV OF PETROLEUM (BEIJING)
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Problems solved by technology

However, this kerogen construction method has the following disadvantages: pyrolysis in the structural characterization experiment needs to destroy the chemical structure of kerogen, which will lead to the loss of some important structural information; and use the structural fragments obtained by pyrolysis to indirectly deduce The structure of kerogen has great uncertainty; the indirect structure information obtained for a single experimental sample cannot reflect the average molecular structure of this type of kerogen

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  • Method for constructing kerogen average molecular structure model
  • Method for constructing kerogen average molecular structure model
  • Method for constructing kerogen average molecular structure model

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Embodiment 1

[0071] This example provides a method for constructing an average molecular structure model of kerogen, which takes the shale samples of the Longmaxi Formation in the Sichuan Basin as the research object, and the specific construction process is as follows figure 1 shown, including the following steps:

[0072] (1) Take 10 samples of Longmaxi Formation shale in the Sichuan Basin, crush the samples to a size smaller than 100 mesh, heat 1-2g powder samples to 540°C in a LECO CS230 carbon / sulfur analyzer, and test the TOC content of the samples. A 100mg powder sample was heated from 90°C to 600°C in an oil and gas evaluation (OGE) workstation to obtain the pyrolysis hydrocarbon content (S2) of the sample, and the hydrogen index (HI) of the sample was calculated according to the formula HI=S2×100 / TOC. Table 2 is the sample pyrolysis test results and calculated hydrogen index (HI).

[0073] Table 2

[0074]

[0075]

[0076](2) Based on the calculation formulas (1)-(5) of s...

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Abstract

The invention provides a method for constructing a kerogen average molecular structure model. The method comprises the steps of: calculating a hydrogen index HI of each sample and a kerogen average molecular structure parameter of regional shale; extracting the kerogen sample in a shale powder sample for XPS energy spectrum analysis and FTIR spectral analysis, determining the elemental compositionin the kerogen sample, the atomic ratio of carbon atoms to heteroatoms and the existence form of heteroatoms; fitting a peak area according to the characteristic peaks of each group in a FTIR spectrum, and calculating the chemical structure parameters of kerogen; determining the total carbon number of the kerogen average molecular structure, and constructing the initial kerogen average molecularstructure; maintaining the main carbon skeleton structure and the heteroatoms functional group unchanged, continuously adjusting the carbon number of each aliphatic chain and the position of the heteroatoms functional group in the initial kerogen average molecular structure, until the adjusted model structure parameters are consistent with the XPS and FTIR experimental results, obtaining the kerogen average molecular structure model of the regional shale.

Description

technical field [0001] The invention belongs to the field of petrochemistry and relates to a method for constructing a kerogen average molecular structure model. Background technique [0002] Shale gas resources are abundant, and its commercial exploitation can greatly relieve the world's energy pressure and change the energy structure. Shale gas exists in the nanoscale pores of the reservoir in adsorbed, free and dissolved states. Among them, adsorbed gas plays a major role in shale gas reserves, and its content can reach 60-85% of the total gas. Kerogen roots are the main contributors to specific surface area and adsorption capacity in shale gas. The study of gas adsorption characteristics of shale kerogen has important guiding significance for shale gas reserve evaluation and shale gas exploitation. [0003] At present, there are mainly isothermal adsorption experiment methods and molecular simulation methods to study the adsorption of gas by kerogen. Due to the limit...

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Application Information

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Patent Type & Authority Applications(China)
IPC IPC(8): G01N23/2273
Inventor 宁正福黄亮王庆孙政张彪余雄飞慕云涛
Owner CHINA UNIV OF PETROLEUM (BEIJING)
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