A method, system, computer and storage medium for measuring glass content of mineral powder based on XRD diffraction data

Abstract

This invention discloses a method, system, computer, and storage medium for measuring the glass content of mineral powder based on XRD diffraction data. The method includes: plotting an XRD diffraction curve Q1 and a straight line Z formed by its left and right endpoints; comparing the diffraction intensity of each point on curve Q1 (excluding the left and right endpoints) with the diffraction intensity of the nearest data point with a 2θ value greater than that point, and the diffraction intensity of the nearest data point with a 2θ value less than that point; if the diffraction intensity of that point is the smallest, recording the coordinates of that point in an empty matrix `points`, and plotting curve Q2 based on the points in the empty matrix `points`; and calculating the area ratio of the glass content of the mineral powder based on curves Q1, Q2, and the straight line Z. This invention achieves efficient and accurate determination of the glass content of mineral powder.

Description

Technical Field

[0001] This invention belongs to the field of mineral powder glass content calculation. Specifically, this invention relates to a method, system, computer, and storage medium for measuring mineral powder glass content based on XRD diffraction data. Background Technology

[0002] Mineral powder is a potentially active admixture obtained from the high-temperature molten slag discharged during blast furnace ironmaking, through water quenching, drying, and grinding. Adding mineral powder to concrete can improve its workability and durability, reduce cement usage, and thus reduce CO2 emissions, resulting in significant environmental benefits. The activity of mineral powder is closely related to its glass content; accurately determining the glass content is crucial for performance evaluation and engineering applications.

[0003] The national standard GB / T 18046-2017 stipulates that the determination of the vitreous content in mineral powder requires calculating the ratio of the area of ​​the vitreous portion in the X-ray diffraction pattern to the area on the baseline. The area calculation typically employs the paper-cutting and weighing method. However, this method suffers from problems such as complex operation, significant subjective influence, and insufficient accuracy and repeatability, making it difficult to meet the requirements for efficient and accurate testing.

[0004] To address the shortcomings of existing technologies, this invention proposes a method, system, computer, and storage medium for measuring the glass content of mineral powder based on XRD diffraction data. This method achieves efficient and accurate determination of the glass content of mineral powder through data processing and area division calculation of the XRD diffraction curve, offering advantages such as simple calculation, high precision, and strong repeatability. Summary of the Invention

[0005] This invention aims to overcome the shortcomings of the prior art and proposes a method, system, computer, and storage medium for measuring the glass content of mineral powder based on XRD diffraction data, so as to achieve the following objective: to realize the efficient and accurate determination of the glass content of mineral powder.

[0006] To achieve the above objectives, the technical solution adopted by the present invention is as follows:

[0007] A method for measuring the glass content of mineral powder based on XRD diffraction data, the method comprising:

[0008] Step S1: Read the XRD diffraction intensity of the mineral powder corresponding to each 2θ value in the crystal plane range [m1,mn], and plot the curve Q1. Connect the two data points 2θ=m1 and 2θ=mn on Q1 with a straight line to obtain the straight line Z composed of the two data points.

[0009] Step S2: Compare the diffraction intensity of each point on curve Q1, except for the two data points 2θ=m1 and 2θ=mn, with the diffraction intensity of the nearest data point whose 2θ value is greater than that point and the diffraction intensity of the nearest data point whose 2θ value is less than that point. If the diffraction intensity of that point is the smallest after comparison, record the coordinates of that point in the empty matrix points, and draw curve Q2 based on the points in the empty matrix points.

[0010] Step S3: Calculate the area A1 formed by 2θ=m1, 2θ=mn, curve Q1 and line Z as boundaries, and calculate the area A2 formed by 2θ=m1, 2θ=mn, curve Q2 and line Z as boundaries.

[0011] Step S4: Calculate the area ratio of the mineral powder glass content, i.e., A2 / A1.

[0012] Preferably, m1=22.0°, mn=38.0°.

[0013] Preferably, in step S1, let the data point at 2θ=m1 be (x1, y1) and the data point at 2θ=mn be (x2, y2), then the equation of line Z is expressed as follows:

[0014] ;

[0015] Where y represents the dependent variable of the linear equation, then x represents the independent variable of the linear equation; conversely, if x represents the dependent variable of the linear equation, then y represents the independent variable of the linear equation.

[0016] Preferably, in step S4, each pair of adjacent points on the calculation curve Q1 is traversed according to the formula for calculating the area of ​​a right trapezoid. and and its projection points on the 2θ coordinate axis and The area of ​​the right trapezoid formed by the four points is calculated and summed to obtain the area enclosed by the curve Q1, the 2θ coordinate axis, 2θ=m1, and 2θ=mn, denoted as A3, where i=1,2,3,…,n-1, and n is the number of data points of the mineral powder glass diffraction data 2θ in the interval [m1,mn]. Similarly, the area enclosed by the curve Q2, the 2θ coordinate axis, 2θ=m1, and 2θ=mn is calculated as A4, and the area enclosed by the line Z, the 2θ coordinate axis, 2θ=m1, and 2θ=mn is calculated as A5.

[0017] Then A2 = A4 - A5, A1 = A3 - A5.

[0018] Preferably, the method is implemented using MATLAB or Python programming.

[0019] This invention also provides a mineral powder glass content measurement system based on XRD diffraction data, using the above-mentioned method for measuring mineral powder glass content based on XRD diffraction data, characterized in that: the system includes:

[0020] The dot-line graph drawing module is used to draw the curve Q1, the straight line Z, and the curve Q2;

[0021] The calculation module is used to calculate the area A1 formed by the boundary of 2θ=m1, 2θ=mn, curve Q1 and straight line Z, calculate the area A2 formed by the boundary of 2θ=m1, 2θ=mn, curve Q2 and straight line Z, and calculate the area ratio of mineral powder glass content, i.e.: A2 / A1.

[0022] The present invention also provides a computer for executing a computer program constructed according to the above-described method for measuring the glass content of mineral powder based on XRD diffraction data.

[0023] The present invention also provides a storage medium for storing a computer program constructed according to the above-described method for measuring the glass content of mineral powder based on XRD diffraction data.

[0024] The technical effects of this invention are as follows:

[0025] 1. This invention efficiently calculates the area ratio of mineral powder glass content by simply superimposing the areas of right-angled trapezoids;

[0026] 2. This invention avoids the drawbacks of the paper-cutting weighing method, such as cumbersome experimental process, strong subjectivity, and insufficient accuracy, by calculating and processing XRD diffraction data.

[0027] 3. This invention can be used for batch and repeated calculation and plotting of mineral powder glass content results and curves; using this method, the calculation results of mineral powder glass content are accurate, and the precision meets expectations. Attached Figure Description

[0028] Figure 1 A dotted-line diagram of XRD diffraction data curve Q1 and line Z of mineral powder provided in an embodiment of the present invention;

[0029] Figure 2 A dotted-line diagram of XRD diffraction data curves Q1, line Z, and Q2 of mineral powder provided in an embodiment of the present invention;

[0030] Figure 3 The results of the glass content of mineral powder from four sources provided in the embodiments of the present invention are shown in the figure. Detailed Implementation

[0031] The specific embodiments of the present invention will be further described in detail below with reference to the accompanying drawings. This is to help those skilled in the art to have a more complete, accurate, and in-depth understanding of the inventive concept and technical solutions of the present invention, and to facilitate its implementation. It should be noted that the terms "first," "second," etc., used in this application are only for the convenience of describing the technical solutions and to distinguish components; the corresponding component configurations may be the same or different, and are not intended to limit the scope of this application. To make the technical solutions of the present invention clearer, the present invention will be explained and illustrated through the following embodiments.

[0032] This invention provides a method for measuring the glass content of mineral powder based on XRD diffraction data, the method comprising:

[0033] Step S1: Read the XRD diffraction intensity of the mineral powder corresponding to each 2θ value in the crystal plane range [m1,mn], and plot the curve Q1. Connect the two data points 2θ=m1 and 2θ=mn on Q1 with a straight line to obtain the straight line Z composed of the two data points.

[0034] Step S2: Compare the diffraction intensity of each point on curve Q1, except for the two data points 2θ=m1 and 2θ=mn, with the diffraction intensity of the nearest data point whose 2θ value is greater than that point and the diffraction intensity of the nearest data point whose 2θ value is less than that point. If the diffraction intensity of that point is the smallest after comparison, record the coordinates of that point in the empty matrix points, and draw curve Q2 based on the points in the empty matrix points.

[0035] Step S3: Calculate the area A1 formed by 2θ=m1, 2θ=mn, curve Q1 and line Z as boundaries, and calculate the area A2 formed by 2θ=m1, 2θ=mn, curve Q2 and line Z as boundaries.

[0036] Step S4: Calculate the area ratio of the mineral powder glass content, i.e., A2 / A1.

[0037] In practice, the implementation of the method steps of this invention is not limited to a single software; MATLAB programming and Python programming can both achieve the same effect. This embodiment of the invention uses MATLAB programming as an example for illustration.

[0038] Referring to step S1, this invention uses MATLAB to read the diffraction angle 2θ within the interval [m1, mn] and the corresponding diffraction intensity I. 2θThe data points are composed of [data points]. In this embodiment, m1 = 22.0°, mn = 38.0°, and the 2θ range from 22.0° to 38.0° is the optimized range covering the glassy diffuse scattering peaks and the main crystalline phase characteristic diffraction peaks in the mineral powder. Then, based on the above XRD diffraction data, the plot function is used to draw curve Q1, as shown below. Figure 1 As shown, in this embodiment, curve Q1 uses the 2θ coordinate axis as the abscissa and the XRD diffraction intensity as the ordinate. Two data points on Q1, 2θ=22.0° and 2θ=38.0°, are connected by a straight line, representing the left endpoint (x1, y1) and right endpoint (x2, y2) of curve Q1, where x1=m1, x2=mn, y1=Im1, y2=Imn. The straight line Z formed by these two endpoints is then calculated.

[0039] Given that the data point at 2θ = 22.0° is (x1, y1) and the data point at 2θ = 38.0° is (x2, y2), the equation of line Z is as follows:

[0040] ;

[0041] Where y represents the dependent variable of the linear equation, then x represents the independent variable of the linear equation; conversely, if x represents the dependent variable of the linear equation, then y represents the independent variable of the linear equation. In this embodiment, y represents the dependent variable of the linear equation, i.e., the XRD diffraction intensity, and x represents the independent variable of the linear equation, i.e., the 2θ value.

[0042] Referring to step S2, use a for loop to compare the diffraction intensity of each point on curve Q1, except for the two data points 2θ=m1 and 2θ=mn (i.e., the left endpoint (x1, y1) and the right endpoint (x2, y2), with the diffraction intensity of the nearest data point whose 2θ value is greater than that point, and the diffraction intensity of the nearest data point whose 2θ value is less than that point. In other words, compare the diffraction intensity of that point with the diffraction intensities of its two adjacent points. If the diffraction intensity of that point is the smallest after comparison, record the coordinates of that point in the empty matrix points, and use the plot function to draw curve Q2 based on the points in the empty matrix points. Figure 2 As shown by the red curve in the middle.

[0043] Referring to step S3, use the fill function to calculate the area A1 formed by 2θ=m1, 2θ=mn, curve Q1 and line Z as boundaries, and calculate the area A2 formed by 2θ=m1, 2θ=mn, curve Q2 and line Z as boundaries.

[0044] In this embodiment, the discrete summation concept is applied, and based on the formula for calculating the area of ​​a right trapezoid, a for loop is used to iterate through and calculate each pair of adjacent points on curve Q1. and and its projection points on the 2θ coordinate axis and The area of ​​the right trapezoid formed by the four points is calculated and summed to obtain the area enclosed by curve Q1, the 2θ coordinate axis, 2θ=m1, and 2θ=mn, denoted as A3, where i=1,2,3,…,n-1, and n is the number of data points of the mineral glass diffraction data 2θ in the interval [m1,mn]. Similarly, the area A4 enclosed by curve Q2, the 2θ coordinate axis, 2θ=m1, and 2θ=mn, and the area A5 enclosed by line Z, the 2θ coordinate axis, 2θ=m1, and 2θ=mn are calculated; then A2=A4-A5, and A1=A3-A5.

[0045] Finally, referring to step S4, calculate the area ratio of the mineral powder glass content, i.e., A2 / A1. This embodiment selected mineral powders from four sources, and the results of the above calculations using Matlab are as follows: Figure 3 As shown.

[0046] In summary, the method of this embodiment overcomes the shortcomings of existing methods for determining the glass content of mineral powder, such as cumbersome experimental procedures, strong subjectivity, and insufficient accuracy, and achieves rapid, accurate, and repeatable determination of the glass content of mineral powder.

[0047] This embodiment also provides a mineral powder glass content measurement system based on XRD diffraction data. Using the above-described method for measuring mineral powder glass content based on XRD diffraction data, the system includes:

[0048] The dot-line graph drawing module is used to draw the curve Q1, the straight line Z, and the curve Q2;

[0049] The calculation module is used to calculate the area A1 formed by the boundary of 2θ=m1, 2θ=mn, curve Q1 and straight line Z, calculate the area A2 formed by the boundary of 2θ=m1, 2θ=mn, curve Q2 and straight line Z, and calculate the area ratio of mineral powder glass content, i.e.: A2 / A1.

[0050] This embodiment also provides a computer for executing a computer program constructed according to the above-described method for measuring the content of mineral powder glass based on XRD diffraction data.

[0051] This embodiment also provides a storage medium for storing a computer program constructed according to the above-described method for measuring the glass content of mineral powder based on XRD diffraction data.

[0052] The present invention has been described above by way of example with reference to the accompanying drawings. Obviously, the specific implementation of the present invention is not limited to the above-described manner. Any non-substantial improvements made using the inventive concept and technical solution; or the direct application of the inventive concept and technical solution to other situations without modification, are all within the protection scope of the present invention.

Claims

1. A method for measuring the glass content of mineral powder based on XRD diffraction data, characterized in that: The method includes: Step S1: Read the XRD diffraction intensity of the mineral powder corresponding to each 2θ value in the crystal plane range [m1,mn], and plot the curve Q1. Connect the two data points 2θ=m1 and 2θ=mn on Q1 with a straight line to obtain the straight line Z composed of the two data points. Step S2: Compare the diffraction intensity of each point on curve Q1, except for the two data points 2θ=m1 and 2θ=mn, with the diffraction intensity of the nearest data point whose 2θ value is greater than that point and the diffraction intensity of the nearest data point whose 2θ value is less than that point. If the diffraction intensity of that point is the smallest after comparison, record the coordinates of that point in the empty matrix points, and draw curve Q2 based on the points in the empty matrix points. Step S3: Calculate the area A1 formed by 2θ=m1, 2θ=mn, curve Q1 and line Z as boundaries, and calculate the area A2 formed by 2θ=m1, 2θ=mn, curve Q2 and line Z as boundaries. Step S4: Calculate the area ratio of the mineral powder glass content, i.e., A2 / A1.

2. The method for measuring the glass content of mineral powder based on XRD diffraction data according to claim 1, characterized in that: m1=22.0°, mn=38.0°.

3. The method for measuring the glass content of mineral powder based on XRD diffraction data according to claim 1, characterized in that: In step S1, let the data point at 2θ=m1 be (x1, y1) and the data point at 2θ=mn be (x2, y2). Then the equation of line Z is expressed as follows: ； Where y represents the dependent variable of the linear equation, then x represents the independent variable of the linear equation; conversely, if x represents the dependent variable of the linear equation, then y represents the independent variable of the linear equation.

4. The method for measuring the glass content of mineral powder based on XRD diffraction data according to claim 1, characterized in that: In step S4, according to the formula for calculating the area of ​​a right trapezoid, each pair of adjacent points on the calculation curve Q1 is traversed. and and its projection points on the 2θ coordinate axis and The area of ​​the right trapezoid formed by the four points is calculated and summed to obtain the area enclosed by the curve Q1, the 2θ coordinate axis, 2θ=m1, and 2θ=mn, denoted as A3, where i=1,2,3,…,n-1, and n is the number of data points of the mineral powder glass diffraction data 2θ in the interval [m1,mn]. Similarly, the area enclosed by the curve Q2, the 2θ coordinate axis, 2θ=m1, and 2θ=mn is calculated as A4, and the area enclosed by the line Z, the 2θ coordinate axis, 2θ=m1, and 2θ=mn is calculated as A5. Then A2 = A4 - A5, A1 = A3 - A5.

5. A method for measuring the glass content of mineral powder based on XRD diffraction data according to any one of claims 1-4, characterized in that: The method is implemented using MATLAB programming.

6. A method for measuring the glass content of mineral powder based on XRD diffraction data according to any one of claims 1-4, characterized in that: The method is implemented using Python programming.

7. A mineral powder glass content measurement system based on XRD diffraction data, using the mineral powder glass content measurement method based on XRD diffraction data according to any one of claims 1-6, characterized in that: The system includes: The dot-line graph drawing module is used to draw the curve Q1, the straight line Z, and the curve Q2; The calculation module is used to calculate the area A1 formed by the boundary of 2θ=m1, 2θ=mn, curve Q1 and straight line Z, calculate the area A2 formed by the boundary of 2θ=m1, 2θ=mn, curve Q2 and straight line Z, and calculate the area ratio of mineral powder glass content, i.e.: A2 / A1.

8. A computer, characterized in that: The computer is used to execute a computer program constructed according to any one of claims 1-6 for a method of measuring the glass content of mineral powder based on XRD diffraction data.

9. A storage medium, characterized in that: The storable medium is used to store a computer program constructed according to any one of claims 1-6 for a method of measuring the glass content of mineral powder based on XRD diffraction data.

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