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Adsorbate gas adsorption phase density model construction and absolute adsorption capacity calculation method

A technology of gas adsorption and construction method, which is applied in the field of exploration to achieve the effect of high accuracy and improved accuracy

Active Publication Date: 2019-12-03
SOUTHWEST PETROLEUM UNIV
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  • Summary
  • Abstract
  • Description
  • Claims
  • Application Information

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Problems solved by technology

In these research results, the effect of pressure on the density of the adsorbed phase has been neglected.

Method used

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  • Adsorbate gas adsorption phase density model construction and absolute adsorption capacity calculation method
  • Adsorbate gas adsorption phase density model construction and absolute adsorption capacity calculation method
  • Adsorbate gas adsorption phase density model construction and absolute adsorption capacity calculation method

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Embodiment 1

[0032] Such as Figure 7 A method for constructing an adsorbate gas adsorption phase density calculation model is shown, comprising the following steps:

[0033] S10. Obtain the gas phase density ρ of the adsorbate gas at different pressures at the temperature T1 g , and the gas phase density ρ g Regression into a polynomial function related to pressure p;

[0034] S20. Construct the slit pore structure model of the adsorbent and the slit pore diameters constructed are various, and obtain the excess adsorption capacity and adsorption phase of the adsorbate gas in the adsorption system at different temperatures, different pressures, and different pore diameter points by means of molecular simulation volume;

[0035] S30. Calculate the absolute adsorption amount according to the excess adsorption amount and the volume of the adsorption phase obtained in step S20;

[0036] S40, calculating the adsorption phase density of the adsorbate gas in the adsorption system under differ...

Embodiment 2

[0041] Based on the principle of embodiment 1, this embodiment discloses a specific implementation method, which specifically includes the following steps:

[0042] S10. Obtain the gas phase density of the adsorbate gas at different pressures at a certain temperature from the NIST database, and calculate the gas phase density ρ g Returning to a polynomial function related to the pressure p, it can be seen from the formula (1), the adsorbate gas can be such as methane, carbon dioxide, hydrogen and other gases.

[0043] ρ g =a 0 +a 1 p+a 2 p 2 +a 3 p 3 (1)

[0044] S20. According to the crystal structure model of the adsorbent, use the Materials studio 6.0 software to construct the supercell structure of the adsorbent, thereby constructing the slit pore structure of the adsorbent. The diameters of the constructed slit holes include 1nm, 1.5nm, 2nm, and 3nm , 4nm, 6nm, 8nm, 10nm, 15nm, 20nm, etc. Based on this, the adsorption process of adsorbate gas molecules in the na...

Embodiment 3

[0057] In this embodiment, the adsorbent is kaolinite mineral, and the adsorption medium is methane gas as an example to illustrate the model construction method of this scheme.

[0058] S10. Using the methods in Examples 1 and 2 to obtain the coefficients of the gas phase density fitting polynomial of methane at different temperatures are shown in Table 1, where R is the fitting coefficient.

[0059] Table 1 Values ​​of coefficients of methane density regression formula

[0060]

[0061] S20. According to the crystal structure model of the adsorbent, use Material studio6.0 software to construct the supercell structure of the adsorbent, thereby constructing the slit pore structure of the adsorbent. The diameters of the constructed slit holes include 1nm, 1.5nm, 2nm, 3nm, 4nm, 6nm, 8nm, 10nm, 15nm, 20nm, etc. Based on this, the adsorption process of adsorbate gas molecules in the nanoscale pores of the adsorbent at different temperatures was constructed.

[0062] Based on ...

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Abstract

The invention discloses an adsorbate gas adsorption phase density model construction and absolute adsorption capacity calculation method, and the method comprises the following steps: acquiring gas phase densities of adsorbate gases with different pressures at a temperature T1, and regressing the gas phase densities into a pressure-related polynomial function; constructing a pore structure of theadsorbent, and obtaining excess adsorption quantity and adsorption phase volume of adsorbate gas in an adsorption system under different temperatures, different pressures and different pore diametersthrough a molecular simulation means; calculating the absolute adsorption capacity; calculating the adsorption phase density of adsorbate gas in the adsorption system under different temperatures, different pressures and different pore diameters; taking the adsorption phase density as a target function, taking the aperture r, the temperature T and the pressure p as dependent variables, and constructing an adsorption phase density calculation model by applying a least square method. The brand-new adsorption phase density calculation method is provided, and the method is based on the basis of pressure, temperature and aperture data, considers the influence of pressure, temperature and aperture on the adsorption phase density, and improves the calculation accuracy of the adsorption phase density.

Description

technical field [0001] The invention relates to the field of exploration technology, in particular to a method for constructing an adsorbate gas adsorption phase density model and calculating an absolute adsorption amount. Background technique [0002] High-pressure gas adsorption generally belongs to supercritical adsorption, such as the adsorption of methane in coal seams, the adsorption of methane in shale reservoirs, and the adsorption of hydrogen in hydrogen storage materials. Gas supercritical adsorption refers to the adsorption of a gas on a solid surface above its critical temperature. According to Gibbs definition, the adsorption capacity measured in the high-pressure isothermal adsorption experiment is the excess adsorption capacity, but it does not reflect the real gas adsorption capacity of the adsorbate, which is also called the absolute adsorption capacity. A large number of studies believe that when high-pressure gas is adsorbed on a solid adsorbent, there is...

Claims

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Application Information

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Patent Type & Authority Applications(China)
IPC IPC(8): G16C10/00G16C20/70
CPCG16C10/00G16C20/70
Inventor 熊健林海宇刘向君梁利喜李玮魏晓琛
Owner SOUTHWEST PETROLEUM UNIV
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