A method for optimizing and preparing cementitious material based on coupling of physical entropy and chemical entropy

Abstract

This invention discloses a method for optimizing and preparing cementitious materials based on the coupling of physical and chemical entropy. The method first selects two or more cementitious material components to establish several candidate proportion groups and obtains the particle size distribution and chemical composition data of each component. Then, based on the mass fraction of each component in the candidate proportions, the distribution ratio of the mixed system in the preset physical range and chemical composition unit is calculated, thereby obtaining the physical and chemical entropy. The physical and chemical entropy are then normalized to construct a dual-entropy coordination coefficient and a preferred proportion value, based on which the target proportion is screened. Finally, the target proportion is weighed, mixed, stirred, shaped, and cured to obtain the target cementitious material. Compared with traditional empirical methods and single-factor trial mixing methods, this invention has the advantages of high quantification, wide applicability, high optimization efficiency, and strong scalability. This method can improve the quantification degree and preparation efficiency of screening candidate proportions for cementitious materials.

Description

Technical Field

[0001] This invention relates to the field of engineering materials technology, and more specifically, to a method for optimizing and preparing cementitious materials based on the coupling of physical entropy and chemical entropy. Background Technology

[0002] Cementitious materials are widely used in construction engineering, transportation engineering, municipal engineering, and solid waste resource utilization. Their composition design and proportion optimization directly affect the material's workability, mechanical properties, volume stability, and durability. Existing cementitious material proportioning design methods mainly rely on empirical judgment, single-factor experiments, or multi-factor orthogonal experiments, gradually adjusting parameters such as raw material type, dosage, and fineness to obtain target performance. While these methods can meet engineering application requirements to a certain extent, they typically suffer from problems such as long experimental cycles, low proportion search efficiency, difficulty in identifying variable coupling effects, and strong reliance on experience for optimization results. These problems are particularly prominent in multi-component cementitious material systems.

[0003] From a materials perspective, the performance of cementitious material systems is not only related to the component content but also closely related to the physical distribution and chemical composition characteristics of the components. Differences in particle size distribution, particle size distribution, specific surface area, and chemical composition of different raw materials collectively affect the system's packing state, interfacial interactions, reaction pathways, and final performance. However, current research on cementitious material formulation design largely focuses on empirical analysis of single physical or chemical parameters, lacking a universal method for uniformly quantifying physical distribution and chemical composition characteristics for formulation optimization.

[0004] In recent years, entropy methods have attracted attention due to their ability to characterize the distribution of components within a system. However, existing research largely remains at the level of theoretical analysis, single-index evaluation, or description of specific material systems, and has not yet formed a general technical route for the optimization and preparation of cementitious materials. In particular, existing methods often struggle to answer the following question: In multi-component cementitious material systems, how to transform controllable physical and chemical parameters into comparable, calculable, and optimizable quantitative indicators, and further use them to guide proportioning and material preparation. At the same time, it should be noted that a higher entropy value does not necessarily correspond to superior material performance; effective optimization of material performance can only be achieved when different types of entropy parameters are in a reasonable matching and coordinated state.

[0005] Therefore, it is necessary to provide a new method for optimizing and preparing cementitious materials by introducing physical entropy and chemical entropy into the cementitious material design process, synergistically characterizing the physical distribution and chemical composition in multi-component systems, and establishing a target ratio screening mechanism on this basis, thereby improving the efficiency of ratio design and enhancing the quantification and interpretability of performance optimization. Summary of the Invention

[0006] The purpose of this invention is to overcome the shortcomings of existing technologies in cementitious material proportioning design, which mainly rely on experience, have low optimization efficiency, are difficult to simultaneously characterize physical distribution and chemical composition characteristics, and lack a unified quantitative optimization path. This invention provides a method for optimizing and preparing cementitious material proportions based on the coupling of physical and chemical entropy. This method is based on controllable physical and chemical parameters in the cementitious material system. By constructing physical entropy, chemical entropy, and their coordination relationship, it achieves quantitative evaluation of candidate proportion groups, screening of target proportions, and material preparation.

[0007] To achieve the above objectives, the present invention adopts the following technical solution: A method for optimizing and preparing cementitious materials based on the coupling of physical entropy and chemical entropy includes the following steps: S1. Select two or more cementitious material components to establish several candidate mix proportion groups; S2, obtain particle size distribution data and chemical composition data of each cementitious material component; S3. Based on the mass fraction and particle size distribution data of each cementitious material component in each candidate ratio group, calculate the distribution ratio of the mixed system in the preset physical range, and calculate the physical entropy accordingly. S4. Based on the mass fraction and chemical composition data of each cementitious material component in each candidate ratio group, calculate the distribution ratio of the mixed system in the preset chemical composition unit, and calculate the chemical entropy accordingly. S5, normalize the physical entropy and chemical entropy to obtain normalized physical entropy and normalized chemical entropy; S6, construct a dual-entropy coordination coefficient based on the normalized physical entropy and normalized chemical entropy, and construct an optimal ratio value based on the normalized physical entropy, normalized chemical entropy and dual-entropy coordination coefficient; the optimal ratio value is used to comprehensively evaluate each candidate ratio group; S7, Select the target ratio from the plurality of candidate ratio groups according to the preferred ratio value; S8. Weigh and mix each cementitious material component according to the target ratio, and obtain the target cementitious material after stirring, molding and curing.

[0008] Furthermore, in S1, the cementitious material components include at least two of the following: cement, slag, fly ash, metakaolin, calcined clay, silica fume, limestone powder, gypsum, steel slag powder, recycled powder, and tailings powder.

[0009] Furthermore, in S3, the preset physical range includes a particle size range, a particle gradation range, or a specific surface area range.

[0010] Furthermore, in S3, the distribution ratio of the mixed system in the preset physical range is determined by the mass fraction of each cementitious material component and its proportion falling into the corresponding physical range.

[0011] Furthermore, in S4, the preset chemical composition unit includes one or more of SiO2, Al2O3, CaO, Fe2O3, MgO, Na2O, and K2O.

[0012] Furthermore, in S4, the distribution ratio of the mixed system in the preset chemical composition unit is determined by the mass fraction of each cementitious material component and the content of its corresponding chemical composition unit.

[0013] Furthermore, in S3, the particle size distribution data is obtained through laser particle size analysis, sieving analysis, or image analysis; the chemical composition data is obtained through chemical analysis or X-ray fluorescence analysis.

[0014] Furthermore, in S7, the screening method for the target proportion includes: selecting the candidate proportion group with the largest preferred proportion value; or selecting the candidate proportion group with the preferred proportion value within a preset target range; or screening the target proportion based on the performance requirements of the target cementitious material and in combination with the preferred proportion value.

[0015] Furthermore, the performance requirements of the target cementitious material include one or more of the following: fluidity, setting time, compressive strength, flexural strength, volume stability, shrinkage performance, durability, pore structure characteristics, electrical properties, and hydration characteristics.

[0016] Furthermore, in S8, the formed cementitious material is a slurry, mortar, or concrete.

[0017] Compared with the prior art, the present invention has the following beneficial effects: 1. This invention expresses the physical distribution characteristics and chemical composition characteristics of the cementitious material system in a unified quantitative manner in the form of physical entropy and chemical entropy, breaking through the limitations of traditional proportioning design that relies on only a single parameter or empirical judgment.

[0018] 2. By constructing a dual-entropy coordination coefficient and a ratio optimization value, this invention can not only evaluate the degree of dispersion of physical and chemical characteristics in each candidate ratio group, but also characterize the matching relationship between the two, thereby making the ratio screening more systematic and interpretable.

[0019] 3. This invention establishes a ratio optimization method based on controllable physical and chemical variables, which has strong versatility and can be applied to the raw material screening, ratio design and performance optimization of various cementitious material systems and multi-component composite systems.

[0020] 4. Compared with traditional single-factor trial mixing or large-scale trial-and-error experimental methods, the present invention can narrow the search range of target ratios, improve the efficiency of ratio design, reduce experimental costs, and provide clear quantitative guidance for the preparation of cementitious materials.

[0021] 5. This invention emphasizes the synergistic optimization of physical entropy and chemical entropy, rather than simply pursuing an increase in a certain entropy value. Therefore, it can more reasonably reflect the relationship between entropy parameters and performance in cementitious material systems, providing a new methodological basis for optimizing the performance of cementitious materials. Detailed Implementation

[0022] The present invention will be further described below with reference to specific embodiments, but the scope of protection of the present invention is not limited to the following embodiments. Any technical solution that, based on the concept of the present invention, quantitatively characterizes the physical distribution and chemical composition characteristics of a cementitious material system, and optimizes its formulation and preparation accordingly, falls within the scope of protection of the present invention.

[0023] The present invention provides a method for optimizing and preparing cementitious materials based on the coupling of physical entropy and chemical entropy, comprising the following processes.

[0024] First, select two or more cementitious material components to establish several candidate mix proportions. The cementitious material components can be two or more selected from cement, slag, fly ash, metakaolin, calcined clay, silica fume, limestone powder, steel slag powder, recycled powder, and tailings powder. The candidate mix proportions are set based on target performance, raw material sources, and usage requirements.

[0025] Secondly, particle size distribution data and chemical composition data of each cementitious material component are obtained. Particle size distribution data describes the distribution of each component in different physical regions, while chemical composition data describes the compositional characteristics of each component in different chemical constituent units. Particle size distribution data can be obtained through laser particle size analysis, sieving analysis, image analysis, or equivalent methods; chemical composition data can be obtained through chemical analysis, X-ray fluorescence analysis, or equivalent methods.

[0026] Then, based on the mass fraction and particle size distribution data of each cementitious material component in the candidate mix group, the distribution proportion of the mixture system in the preset physical intervals is calculated. Let the mixture system be divided into m physical intervals, and the distribution proportion in the i-th physical interval be... Calculate using the following formula: in, This represents the number of different types of cementitious materials. Let be the mass fraction of the k-th cementitious material component in the candidate mix proportion group. This represents the percentage of the k-th cementitious material component that falls into the i-th physical interval.

[0027] After obtaining the distribution proportion in each physical interval, the physical entropy H is calculated using the following formula. P : in, ,and .

[0028] Then, based on the mass fraction and chemical composition data of each cementitious material component in the candidate mix group, the distribution ratio of the mixed system in the preset chemical composition unit is calculated. Let the mixed system be divided into t chemical composition units, and the distribution ratio in the j-th chemical composition unit be... ,but in, The content of the j-th chemical unit in the k-th cementitious material component.

[0029] After obtaining the distribution proportion of each chemical component, the chemical entropy H is calculated using the following formula. C : in, ,and .

[0030] To eliminate the influence of different interval numbers and different numbers of chemical constituent units, the physical entropy and chemical entropy are normalized to obtain the normalized physical entropy. and normalized chemical entropy : Further, a dual-entropy coordination coefficient C and a ratio optimization value G are constructed. The dual-entropy coordination coefficient characterizes the degree of matching between normalized physical entropy and normalized chemical entropy, while the ratio optimization value is used to comprehensively evaluate each candidate ratio group. Preferably: in, and These are the weighting coefficients, and , , .

[0031] Subsequently, based on the optimal ratio value The target proportions are selected based on the magnitude of the G-value. The target proportions can be determined by: selecting the candidate proportion group with the largest G-value; or selecting the candidate proportion group with G-values ​​within a preset target range; or establishing performance indicators based on target performance requirements. , The correspondence between G and G is then used to determine the target ratio in reverse.

[0032] Finally, each cementitious material component is weighed according to the determined target proportion, mixed, and brought into contact with the mixing medium. After stirring, molding, and curing, the target cementitious material is obtained. The cementitious material can be a slurry, mortar, concrete, or a sample thereof.

[0033] Example 1: This embodiment illustrates the process of basic screening of candidate ratio groups using the method of the present invention.

[0034] Cement, slag, and fly ash were selected as cementitious material components, and five candidate mix proportions were established, denoted as A1, A2, A3, A4, and A5, respectively. The candidate mix proportion groups are as follows: A1: 50% cement, 30% slag, 20% fly ash; A2: Cement 45%, Slag 35%, Fly Ash 20%; A3: 40% cement, 40% slag, 20% fly ash; A4: 45% cement, 25% slag, 30% fly ash; A5: 35% cement, 45% slag, 20% fly ash.

[0035] Laser particle size analysis was used to obtain the particle size distribution of each component, and the particle size was divided into four physical intervals: 0–5 μm, 5–20 μm, 20–50 μm, and greater than 50 μm. The proportion of each component in the four physical intervals is as follows: Cement: 0.10, 0.35, 0.40, 0.15; Slag: 0.18, 0.42, 0.30, 0.10; Fly ash: 0.05, 0.20, 0.45, 0.30.

[0036] X-ray fluorescence analysis was used to obtain the chemical composition of each component, and SiO2, Al2O3, CaO, Fe2O3, MgO, and Na2O were selected as the chemical constituent units. The normalized chemical compositions of each component are as follows: Cement: 0.21, 0.05, 0.63, 0.04, 0.03, 0.04; Slag: 0.33, 0.13, 0.43, 0.01, 0.08, 0.02; Fly ash: 0.54, 0.28, 0.06, 0.06, 0.03, 0.03.

[0037] Pick , The following uses candidate ratio A4 as an example to illustrate the specific calculation process.

[0038] The mass fractions of each component in A4 are as follows: cement 0.45, slag 0.25, and fly ash 0.30.

[0039] First, calculate the distribution ratio of A4 in each physical interval. .

[0040] The distribution percentage of the first physical interval is: The distribution percentage of the second physical interval is: The distribution percentage of the third physical interval is: The distribution percentage of the fourth physical region is as follows: but: Based on this, calculate the physical entropy: Due to the number of physical intervals Therefore, the normalized physical entropy is: Next, the distribution ratio of A4 in each chemical constituent unit is calculated. .

[0041] The distribution ratio of SiO2 units is: The distribution ratio of Al2O3 units is as follows: The distribution ratio of CaO units is: The distribution ratio of Fe2O3 units is as follows: The distribution ratio of MgO units is as follows: The distribution ratio of Na2O units is as follows: but: Based on this, calculate the chemical entropy: Due to the number of chemical constituent units Therefore, the normalized chemical entropy is: Further calculate the dual-entropy coordination coefficient: Calculate the optimal ratio again: The remaining candidate combination groups were calculated using the same method, and the results are as follows: A1: , , , ; A2: , , , ; A3: , , , ; A4: , , , ; A5: , , , .

[0042] The calculation results show that A4 has the highest optimal ratio, therefore A4 is determined as the target ratio. The raw materials are then weighed according to the A4 ratio, dry-mixed evenly, and then mixed with the mixing medium for stirring, molding, and curing to obtain the target cementitious material.

[0043] This embodiment shows that the present invention does not screen based solely on the magnitude of a single entropy value, but rather performs comprehensive optimization based on the synergistic relationship between physical entropy and chemical entropy.

[0044] Example 2: This embodiment illustrates the process of using a target interval to screen candidate matching groups in the method of the present invention.

[0045] Cement, slag, limestone powder, and recycled powder were selected as cementitious material components, and five candidate mix proportions were established, denoted as B1, B2, B3, B4, and B5, respectively. The candidate mix proportion groups are as follows: B1: 50% cement, 20% slag, 10% limestone powder, and 20% recycled powder; B2: 45% cement, 25% slag, 10% limestone powder, and 20% recycled powder; B3: 40% cement, 25% slag, 15% limestone powder, 20% recycled powder; B4: 35% cement, 30% slag, 15% limestone powder, 20% recycled powder; B5: 40% cement, 20% slag, 20% limestone powder, 20% recycled powder.

[0046] The particle size distribution is still characterized using four physical intervals. The proportions of each component in the four physical intervals are as follows: Cement: 0.10, 0.35, 0.40, 0.15; Slag: 0.18, 0.42, 0.30, 0.10; Limestone powder: 0.22, 0.48, 0.22, 0.08; Regenerated powder: 0.08, 0.27, 0.43, 0.22.

[0047] SiO2, Al2O3, CaO, Fe2O3, and MgO were selected as the chemical constituent units. The normalized chemical compositions of each component are as follows: Cement: 0.22, 0.05, 0.66, 0.04, 0.03; Slag: 0.34, 0.13, 0.44, 0.01, 0.08; Limestone powder: 0.02, 0.01, 0.95, 0.01, 0.01; Regenerated powder: 0.61, 0.19, 0.11, 0.06, 0.03.

[0048] Pick , The following uses candidate ratio B2 as an example to illustrate the specific calculation process.

[0049] The mass fractions of each component in B2 are as follows: cement 0.45, slag 0.25, limestone powder 0.10, and recycled powder 0.20.

[0050] First, calculate the distribution ratio of B2 in each physical interval. .

[0051] The distribution percentage of the first physical interval is: The distribution percentage of the second physical interval is: The distribution percentage of the third physical interval is: The distribution percentage of the fourth physical region is as follows: but: Based on this, calculate the physical entropy: Due to the number of physical intervals Therefore, the normalized physical entropy is: Next, the distribution ratio of B2 in each chemical constituent unit is calculated. .

[0052] The distribution ratio of SiO2 units is: The distribution ratio of Al2O3 units is as follows: The distribution ratio of CaO units is: The distribution ratio of Fe2O3 units is as follows: The distribution ratio of MgO units is as follows: but: Based on this, calculate the chemical entropy: Due to the number of chemical constituent units Therefore, the normalized chemical entropy is: Further calculate the dual-entropy coordination coefficient: Calculate the optimal ratio again: The remaining candidate combination groups were calculated using the same method, and the results are as follows: B1: , , , ; B2: , , , ; B3: , , , ; B4: , , , ; B5: , , , .

[0053] Set the target optimal range as If the conditions are met, then candidate mix proportions B2 and B4 are selected. Further selection can then be made based on actual needs. For example, when prioritizing higher cement content and higher optimal value, B2 can be selected as the target mix proportion; when prioritizing the utilization level of auxiliary components such as slag, B4 can be selected as the candidate optimal mix proportion.

[0054] This embodiment shows that the present invention can not only be used to screen a single optimal ratio, but also to obtain several optional target ratios by setting an optimal range to adapt to different application needs.

[0055] Example 3: This embodiment is used to illustrate the correspondence between the optimal proportion values ​​obtained by the present invention and the performance indicators of the cementitious materials, and to verify the effectiveness of the method of the present invention in proportion optimization.

[0056] Candidate formulation groups A1, A2, A3, A4, and A5 from Example 1 were selected as the research objects, and their preferred formulation values ​​are as follows: A1: ; A2: ; A3: ; A4: ; A5: .

[0057] Cement, slag and fly ash were weighed according to the above candidate proportions. After the components were mixed evenly, they were brought into contact with the mixing medium. After stirring, molding and curing, mortar samples were prepared, and the compressive strength of each sample was tested for 28 days.

[0058] The 28-day compressive strength test results for each candidate formulation group are as follows: A1: 49.2 MPa; A2: 50.4 MPa; A3: 51.0 MPa; A4: 55.1 MPa; A5: 52.8 MPa.

[0059] Comparing the optimal mix proportion values ​​of each candidate mix group with their 28-day compressive strength results reveals that A4 has the highest optimal mix proportion value and also the highest compressive strength; A5 has a higher normalized physical entropy, but its strength is still lower than A4. This result indicates that an increase in a single physical or chemical entropy does not necessarily correspond to optimal performance of the cementitious material, but rather the degree of coordination and matching between physical and chemical entropy better reflects the rationality of the mix proportion. Therefore, in practical applications, the method of this invention can be used to calculate several candidate mix proportion groups to obtain optimal mix proportion values ​​and narrow down the experimental range, and then further screened in conjunction with target performance indicators, thereby improving the efficiency of cementitious material mix design and reducing experimental costs.

[0060] This embodiment demonstrates that the physical entropy-chemical entropy synergistic evaluation method constructed in this invention can effectively characterize the comprehensive optimization state of different candidate ratio groups and provide quantitative basis for optimizing the performance of cementitious materials. Therefore, in practical applications, the optimal values ​​of each candidate ratio group can be calculated first according to the method of this invention to narrow down the experimental range, and then the final screening can be carried out in combination with the target performance indicators to improve the efficiency of ratio optimization.

[0061] Finally, it should be noted that the above embodiments are only used to illustrate the technical solutions of the present invention, and are not intended to limit the scope of protection of the present invention. For those skilled in the art, any equivalent substitutions or conventional adjustments made to the types of raw materials, the method of dividing the regions, the chemical constituent units, the weighting coefficients, the performance indicators, and the preparation steps without departing from the spirit and substance of the present invention should fall within the scope of protection of the present invention.

Claims

1. A method for optimizing and preparing cementitious materials based on the coupling of physical entropy and chemical entropy, characterized in that, Includes the following steps: S1. Select two or more cementitious material components to establish several candidate mix proportion groups; S2, obtain particle size distribution data and chemical composition data of each cementitious material component; S3. Based on the mass fraction and particle size distribution data of each cementitious material component in each candidate ratio group, calculate the distribution ratio of the mixed system in the preset physical range, and calculate the physical entropy accordingly. S4. Based on the mass fraction and chemical composition data of each cementitious material component in each candidate ratio group, calculate the distribution ratio of the mixed system in the preset chemical composition unit, and calculate the chemical entropy accordingly. S5, normalize the physical entropy and chemical entropy to obtain normalized physical entropy and normalized chemical entropy; S6, construct a dual-entropy coordination coefficient based on the normalized physical entropy and normalized chemical entropy, and construct an optimal ratio value based on the normalized physical entropy, normalized chemical entropy and dual-entropy coordination coefficient; S7, Select the target ratio from the plurality of candidate ratio groups according to the preferred ratio value; S8. Weigh and mix each cementitious material component according to the target ratio, then stir, mold and cure to obtain the target cementitious material.

2. The method for optimizing and preparing the proportion of cementitious materials according to claim 1, characterized in that, In S1, the cementitious material components include at least two of the following: cement, slag, fly ash, metakaolin, calcined clay, silica fume, limestone powder, gypsum, steel slag powder, recycled powder, and tailings powder.

3. The method for optimizing and preparing cementitious materials according to claim 1, characterized in that, In S3, the preset physical range includes particle size range, particle gradation range, or specific surface area range.

4. The method for optimizing and preparing cementitious materials according to claim 1, characterized in that, In S3, the distribution ratio of the mixed system in the preset physical range is determined by the mass fraction of each cementitious material component and the proportion of it falling into the corresponding physical range.

5. The method for optimizing and preparing cementitious materials according to claim 1, characterized in that, In S4, the preset chemical composition unit includes one or more of SiO2, Al2O3, CaO, Fe2O3, MgO, Na2O, and K2O.

6. The method for optimizing and preparing cementitious materials according to claim 1, characterized in that, In S4, the distribution ratio of the mixed system in the preset chemical composition unit is determined by the mass fraction of each cementitious material component and the content of its corresponding chemical composition unit.

7. The method for optimizing and preparing cementitious materials according to claim 1, characterized in that, In S3, the particle size distribution data is obtained through laser particle size analysis, sieving analysis, or image analysis; the chemical composition data is obtained through chemical analysis or X-ray fluorescence analysis.

8. The method for optimizing and preparing cementitious materials according to claim 1, characterized in that, In S7, the screening method for the target proportion includes: selecting the candidate proportion group with the largest preferred proportion value; or selecting the candidate proportion group whose preferred proportion value is within a preset target range; or screening the target proportion based on the performance requirements of the target cementitious material and in combination with the preferred proportion value.

9. The method for optimizing and preparing cementitious materials according to claim 8, characterized in that, The performance requirements of the target cementitious material include one or more of the following: fluidity, setting time, compressive strength, flexural strength, volume stability, shrinkage performance, durability, pore structure characteristics, electrical properties, and hydration characteristics.

10. The method for optimizing and preparing cementitious materials according to claim 1, characterized in that, In S8, the cementitious material after molding is slurry, mortar, or concrete.

Images