A method and system for performance optimization of cement-based materials based on side-chain synthesis
By analyzing the loss of cement matrix in application scenarios, constructing side chain molecular structures and synthesizing multifunctional side chains, the problem of poor performance optimization of cement-based materials was solved, and a broader and deeper performance improvement was achieved.
Patent Information
- Application Number
- CN202411511748.8
- Authority / Receiving Office
- CN · China
- Patent Type
- Patents(China)
- Current Assignee / Owner
- Filing Date
- 2024-10-28
- Publication Date
- 2025-11-04
- Estimated Expiration
- 2044-10-28
AI Technical Summary
Existing technologies cannot provide extensive and in-depth modification space for optimizing the performance of cement-based materials, resulting in poor performance optimization effects.
By analyzing the application losses of the cement matrix to be improved in the application scenarios, the performance optimization target is determined, the side chain molecular structure is constructed, multifunctional side chains are synthesized, and the performance of the cement matrix is optimized through three-dimensional modeling and binding energy analysis.
It improves the performance optimization of cement-based materials, meets the requirements of application scenarios, and achieves broader and deeper performance improvements.
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Figure CN119560065B_ABST
Abstract
Description
TECHNICAL FIELD
[0001] The application relates to the field of material science, and in particular to a cement-based material performance optimization method and system based on side chain synthesis. BACKGROUND
[0002] Cement-based material performance optimization refers to a process of improving the mechanical properties, durability, workability and other related properties of cement-based composite materials (such as concrete, mortar and the like) through a series of technical means and process improvements, so that the cement-based material meets the engineering requirements while achieving the best performance and cost balance through reasonable design and construction.
[0003] At present, cement-based material performance optimization is mainly achieved through the selection and proportioning adjustment of raw materials, the addition of chemical admixtures and the blending of mineral admixtures, which can only improve the performance of cement-based materials to a certain extent and cannot provide a wider and deeper modification space, thereby resulting in poor cement-based material performance optimization effect. SUMMARY
[0004] The application provides a cement-based material performance optimization method and system based on side chain synthesis, which aims to improve the performance optimization effect of cement-based materials.
[0005] To achieve the above-mentioned purpose, the cement-based material performance optimization method based on side chain synthesis provided by the application comprises the following steps:
[0006] An application scenario of a cement-based body to be improved is obtained, application loss of the cement-based body to be improved in the application scenario is analyzed, and a performance optimization target of the cement-based body to be improved is determined based on the application loss;
[0007] Based on the performance optimization target, a chemical functional group of the cement-based body to be improved is analyzed, and a side chain molecular structure of the cement-based body to be improved is constructed based on the chemical functional group, wherein the side chain molecular structure comprises a main chain molecular structure and a branched chain molecular structure;
[0008] Based on the side chain molecular structure and the chemical functional group, a multifunctional side chain of the cement-based body to be improved is synthesized;
[0009] Three-dimensional modeling is respectively performed on the multifunctional side chain and the cement-based body to be improved to obtain a modeled multifunctional side chain and a modeled cement-based body, and the distribution state of the modeled multifunctional side chain in the modeled cement-based body is analyzed;
[0010] Calculate the binding energy of the modeling multifunctional side chain and the modeling cement matrix, based on the distribution state and the binding energy, analyze the performance improvement coefficient of the multifunctional side chain on the cement matrix to be improved, and when the performance improvement coefficient meets the preset performance improvement threshold, use the multifunctional side chain to perform performance improvement of the cement matrix to be improved.
[0011] Optionally, the application loss of the cement matrix to be improved in the application scenario is analyzed, including:
[0012] Identify the application scenario feature and the cement matrix feature of the application scenario and the cement matrix to be improved, respectively;
[0013] Based on the application scenario feature, analyze the application demand of the cement matrix to be improved;
[0014] Based on the cement matrix feature, determine the performance influence factor of the cement matrix to be improved;
[0015] Based on the performance influence factor, the application scenario feature, and the cement matrix feature, analyze the initial performance of the cement matrix to be improved;
[0016] Based on the application demand and the initial performance, evaluate the application loss of the cement matrix to be improved in the application scenario.
[0017] Optionally, the initial performance of the cement matrix to be improved is analyzed based on the performance influence factor, the application scenario feature, and the cement matrix feature, including:
[0018] Based on the performance influence factor, the application scenario feature, and the cement matrix feature, analyze the initial performance calculation parameter of the cement matrix to be improved;
[0019] Based on the initial performance calculation parameter, calculate the compressive strength of the cement matrix to be improved using the following formula:
[0020]
[0021] Where τ represents the compressive strength of the cement matrix to be improved, The water-cement ratio corresponding to the initial performance calculation parameter of the cement matrix to be improved is represented by w / c, The 28-day compressive strength of the cement matrix to be improved is represented by τ cn The compressive strength of the aggregate corresponding to the cement matrix to be improved is represented by G, and the constant is represented by G.
[0022] Based on the initial performance calculation parameter, calculate the impermeability coefficient of the cement matrix to be improved using the following formula:
[0023]
[0024] wherein ∈ represents the permeability coefficient of the cement matrix to be promoted, n represents the average particle size corresponding to the initial performance calculation parameter, ε represents the porosity corresponding to the initial performance calculation parameter, θ represents the fluid density corresponding to the initial performance calculation parameter, and γ represents the dynamic viscosity corresponding to the initial performance calculation parameter;
[0025] Based on the initial performance calculation parameter, the stress intensity factor of the cement matrix to be promoted is calculated by using the following formula:
[0026]
[0027] wherein ρ represents the stress intensity factor of the cement matrix to be promoted, β represents the geometric shape factor corresponding to the initial performance calculation parameter, α represents the stress corresponding to the initial performance calculation parameter, μ represents the crack length corresponding to the initial performance calculation parameter, π represents the circular constant, and h(t) represents the crack tip stress corresponding to the initial performance calculation parameter;
[0028] Based on the compressive strength, the permeability coefficient, and the stress intensity factor, the initial performance of the cement matrix to be promoted is analyzed.
[0029] Optionally, the performance optimization target of the cement matrix to be promoted is determined based on the application loss, including:
[0030] An application loss feature of the application loss is analyzed;
[0031] Based on the application loss feature, a scene influence of the application loss on the application scene corresponding to the cement matrix to be promoted is determined;
[0032] Based on the application loss and the scene influence, a key performance to be promoted of the cement matrix to be promoted is analyzed, and a loss weight of the key performance to be promoted in the application loss is identified;
[0033] Based on the loss weight, a performance priority and a performance promotion index of the key performance to be promoted are calculated;
[0034] Based on the performance priority and the performance promotion index, a performance optimization target of the cement matrix to be promoted is determined.
[0035] Optionally, the side chain molecular structure of the cement matrix to be promoted is constructed based on the chemical functional group, including:
[0036] The main chain material of the cement matrix to be promoted is selected;
[0037] Based on the chemical functional group, the main chain molecular weight of the cement matrix to be promoted is determined;
[0038] analyzing an effective linking mode of a main chain of the chemical functional group;
[0039] constructing a main chain molecular structure of the cementitious matrix to be improved based on the main chain material, the main chain molecular weight, and the effective linking mode of the main chain;
[0040] determining a number and length of branches of the main chain molecular structure based on corresponding key performances to be improved of the cementitious matrix to be improved;
[0041] determining a branch molecular structure of the cementitious matrix to be improved based on the number and the length of the branches;
[0042] linking the main chain molecular structure and the branch molecular structure to obtain a side chain molecular structure of the cementitious matrix to be improved.
[0043] Optionally, synthesizing a multifunctional side chain of the cementitious matrix to be improved based on the side chain molecular structure and the chemical functional group, includes:
[0044] determining a synthesis mode of the side chain molecular structure and the chemical functional group;
[0045] analyzing synthesis raw materials of the side chain molecular structure and the chemical functional group based on the synthesis mode;
[0046] constructing a synthesis route of the side chain molecular structure and the chemical functional group based on the synthesis mode and the synthesis raw materials;
[0047] synthesizing the side chain molecular structure and the chemical functional group based on the synthesis route and the synthesis raw materials to obtain a synthesized multifunctional side chain;
[0048] performing side chain characterization analysis on the synthesized multifunctional side chain to obtain a side chain characterization result;
[0049] when the side chain characterization result conforms to a preset standard side chain characterization result, taking the synthesized multifunctional side chain as the multifunctional side chain of the cementitious matrix to be improved.
[0050] Optionally, the analysis of the distribution state of the modeling multifunctional side chain in the modeling cementitious matrix includes:
[0051] determining a standing parameter of the modeling multifunctional side chain and the modeling cementitious matrix;
[0052] creating a molecular motion simulation system of the modeling multifunctional side chain and the modeling cementitious matrix based on the standing parameter;
[0053] configuring a simulation parameter of the molecular motion simulation system;
[0054] simulate diffusion behavior of the modeled multifunctional side chain based on the simulation parameters;
[0055] analyze distribution state of the modeled multifunctional side chain in the modeled cement matrix based on the diffusion behavior.
[0056] Optionally, the analyzing the distribution state of the modeled multifunctional side chain in the modeled cement matrix based on the diffusion behavior comprises:
[0057] analyzing diffusion path of the diffusion behavior in the modeled cement matrix;
[0058] calculating diffusion coefficient of the diffusion behavior in the modeled cement matrix by using the following formula:
[0059]
[0060] wherein A represents diffusion coefficient of the diffusion behavior in the modeled cement matrix, A0 represents pre-diffusion coefficient, Y s represents energy required for reaching maximum diffusion rate under actual conditions, exp represents exponential function, u C represents Boltzmann constant, H represents temperature corresponding to the diffusion behavior;
[0061] analyze distribution state of the modeled multifunctional side chain in the modeled cement matrix based on the diffusion path and the diffusion coefficient.
[0062] Optionally, the calculating binding energy of the modeled multifunctional side chain and the modeled cement matrix comprises:
[0063] identifying interaction behavior of the modeled multifunctional side chain and the modeled cement matrix;
[0064] calculating interaction energy of the interaction behavior, and recording energy sequence combination of the interaction energy;
[0065] constructing energy transformation curve of the interaction behavior based on preset initial energy and the energy sequence combination;
[0066] calculating binding energy of the modeled multifunctional side chain and the modeled cement matrix based on the energy transformation curve by using the following formula:
[0067]
[0068] wherein M represents binding energy of the modeled multifunctional side chain and the modeled cement matrix, ΔZ i represents energy transformation value of the energy transformation curve at i-th time node, F represents number of time nodes corresponding to the energy transformation curve.
[0069] To achieve the above object, the application further provides a cement-based material performance optimization system based on side chain synthesis, comprising:
[0070] A performance optimization target determination module is configured to obtain an application scenario of a cement-based body to be improved, analyze application loss of the cement-based body to be improved in the application scenario, and determine a performance optimization target of the cement-based body to be improved based on the application loss.
[0071] A side chain molecular structure design module is configured to analyze a chemical functional group of the cement-based body to be improved based on the performance optimization target, and construct a side chain molecular structure of the cement-based body to be improved based on the chemical functional group, wherein the side chain molecular structure comprises a main chain molecular structure and a branched chain molecular structure.
[0072] A multifunctional side chain synthesis module is configured to synthesize a multifunctional side chain of the cement-based body to be improved based on the side chain molecular structure and the chemical functional group.
[0073] A distribution state analysis module is configured to perform three-dimensional modeling on the multifunctional side chain and the cement-based body to be improved respectively to obtain a modeled multifunctional side chain and a modeled cement-based body, and analyze a distribution state of the modeled multifunctional side chain in the modeled cement-based body.
[0074] A side chain performance improvement module is configured to calculate binding energy of the modeled multifunctional side chain and the modeled cement-based body, analyze a performance improvement coefficient of the multifunctional side chain on the cement-based body to be improved based on the distribution state and the binding energy, and perform performance improvement of the cement-based body to be improved by using the multifunctional side chain when the performance improvement coefficient meets a preset performance improvement threshold.
[0075] To solve the above problems, the application further provides an electronic device, comprising:
[0076] A memory configured to store at least one instruction; and
[0077] A processor configured to execute the instruction stored in the memory to implement the cement-based material performance optimization method based on side chain synthesis.
[0078] To solve the above problems, the application further provides a computer readable storage medium, wherein the computer readable storage medium stores at least one instruction, and the at least one instruction is executed by a processor in an electronic device to implement the cement-based material performance optimization method based on side chain synthesis.
[0079] The application can be used as a basis for determining the performance optimization target in the later stage by analyzing the application loss of the cement-based body to be improved in the application scene; optionally, the application can help to improve the performance of the cement-based body and meet the requirements of the application scene by determining the performance optimization target of the cement-based body to be improved based on the application loss; the application can be used as a basis for constructing the side chain in the later stage by analyzing the chemical functional group of the cement-based body to be improved based on the performance optimization target; the application can synthesize the multifunctional side chain of the cement-based body to be improved based on the side chain molecular structure and the chemical functional group, so as to synthesize the multifunctional side chain with the required performance and apply it to the cement-based material to realize performance optimization; the application can provide a basis for optimizing the side chain synthesis method and improving the performance of the side chain in the cement-based body by analyzing the distribution state of the modeling multifunctional side chain in the modeling cement-based body; finally, the application can provide a basis for optimizing the side chain synthesis method and improving the performance of the side chain in the cement-based body by calculating the energy change of the interaction between the side chain and the cement-based body in the simulation process based on the distribution state and the binding energy, and the application can evaluate the performance improvement reliability of the multifunctional side chain to the cement-based body to be improved by analyzing the performance improvement coefficient of the multifunctional side chain to the cement-based body to be improved based on the distribution state and the binding energy. Therefore, the application can improve the performance optimization effect of the cement-based material. BRIEF DESCRIPTION OF DRAWINGS
[0080] Figure 1 A flowchart of a cement-based material performance optimization method based on side chain synthesis provided by an embodiment of the application is shown in the figure.
[0081] Figure 2 A functional module diagram of a cement-based material performance optimization system based on side chain synthesis provided by an embodiment of the application is shown in the figure.
[0082] Figure 3 A structural diagram of an electronic device for implementing the cement-based material performance optimization method based on side chain synthesis provided by an embodiment of the application is shown in the figure.
[0083] The implementation of the application, functional features and advantages will be further described with reference to the embodiments and the accompanying drawings. DETAILED DESCRIPTION
[0084] It should be understood that the specific embodiments described herein are only used to explain the application and not to limit the application.
[0085] The embodiment of the present application provides a cement-based material performance optimization method based on side chain synthesis. The execution subject of the cement-based material performance optimization method based on side chain synthesis includes but is not limited to at least one of the electronic devices capable of being configured to execute the method provided by the embodiment of the present application, such as a server, a terminal and the like. In other words, the cement-based material performance optimization method based on side chain synthesis can be executed by software or hardware installed in a terminal device or a server device, and the software can be a blockchain platform. The server includes but is not limited to a single server, a server cluster, a cloud server or a cloud server cluster and the like.
[0086] Referring to Figure 1 Fig. 1 is a flowchart of a cement-based material performance optimization method based on side chain synthesis provided by an embodiment of the present application. In the embodiment, the cement-based material performance optimization method based on side chain synthesis includes:
[0087] S1, obtaining an application scenario of a cement-based body to be improved, analyzing application loss of the cement-based body to be improved in the application scenario, and determining a performance optimization target of the cement-based body to be improved based on the application loss.
[0088] It should be explained that the cement-based body to be improved refers to cement-based materials whose performance has not yet reached the expected or standard requirements in actual application, and the application scenario refers to the specific environment and conditions in which the cement-based materials to be improved will be used. Different application scenarios have different performance requirements for cement-based materials. Exemplarily, the application scenario can be a building engineering or an infrastructure construction.
[0089] The application can be used as a basis for determining the optimization performance target later by analyzing the application loss of the cement-based body to be improved in the application scenario. The application loss refers to direct and indirect losses that may be caused by insufficient performance, such as structural failure, increased maintenance cost, shortened service life and the like.
[0090] In detail, the analysis of the application loss of the cement-based body to be improved in the application scenario includes:
[0091] Respectively identifying application scenario characteristics and cement-based body characteristics of the application scenario and the cement-based body to be improved;
[0092] Analyzing application requirements of the cement-based body to be improved based on the application scenario characteristics;
[0093] Determining performance influence factors of the cement-based body to be improved based on the cement-based body characteristics;
[0094] Analyzing initial performance of the cement-based body to be improved based on the performance influence factors, the application scenario characteristics and the cement-based body characteristics.
[0095] based on the application requirement and the initial performance, evaluating application loss of the cement-based body to be promoted in the application scenario.
[0096] The application scenario features include environmental conditions, load conditions, service life, durability requirements, construction conditions, etc. The cement-based body features include raw material composition, microstructure, mechanical properties, durability indicators, workability, etc. The application requirements include strength requirements, durability requirements, construction requirements, economic requirements, etc. The performance influencing factor refers to factors affecting the performance of the cement-based body to be promoted, including raw material quality, mix design, construction technology, curing conditions, environmental factors. The initial performance refers to the initial performance of the cement-based body to be promoted in the unprocessed state, such as compressive strength, impermeability, and frost resistance.
[0097] Further, based on the performance influencing factor, the application scenario features, and the cement-based body features, analyzing the initial performance of the cement-based body to be promoted includes:
[0098] Based on the performance influencing factor, the application scenario features, and the cement-based body features, analyzing the initial performance calculation parameters of the cement-based body to be promoted;
[0099] Based on the initial performance calculation parameters, the compressive strength of the cement-based body to be promoted is calculated using the following formula:
[0100]
[0101] wherein τ represents the compressive strength of the cement-based body to be promoted, represents the water-cement ratio corresponding to the initial performance calculation parameters of the cement-based body to be promoted, represents the 28-day compressive strength of the cement-based body to be promoted, τ cn represents the compressive strength of the aggregate corresponding to the cement-based body to be promoted, and G represents a constant;
[0102] Based on the initial performance calculation parameters, the impermeability coefficient of the cement-based body to be promoted is calculated using the following formula:
[0103]
[0104] wherein ∈ represents the impermeability coefficient of the cement-based body to be promoted, n represents the average particle size of the aggregate corresponding to the initial performance calculation parameters, ε represents the porosity corresponding to the initial performance calculation parameters, θ represents the fluid density corresponding to the initial performance calculation parameters, and γ represents the dynamic viscosity corresponding to the initial performance calculation parameters;
[0105] Based on the initial performance calculation parameters, the stress intensity factor of the cement-based body to be promoted is calculated using the following formula:
[0106]
[0107] wherein, ρ represents the stress intensity factor of the cementitious matrix to be promoted, β represents the initial performance calculation parameter corresponding geometric shape factor, α represents the initial performance calculation parameter corresponding stress, μ represents the initial performance calculation parameter corresponding crack length, π represents the circular constant, and h(t) represents the initial performance calculation parameter corresponding crack tip stress.
[0108] Based on the compressive strength, the permeability coefficient, and the stress intensity factor, the initial performance of the cementitious matrix to be promoted is analyzed.
[0109] wherein, the initial performance calculation parameters are basic numerical values used to describe the performance of the cementitious matrix in the calculation process, which can include water-cement ratio, particle size distribution of aggregate, type and strength grade of cement, curing conditions, etc., the compressive strength refers to the ability of the cementitious matrix to withstand vertical pressure under unconfined conditions, the water-cement ratio refers to the mass ratio of cement to water, the 28-day compressive strength of concrete refers to the compressive strength after curing for 28 days, the compressive strength of aggregate refers to the compressive strength of aggregate (such as sand, stone, etc.) in concrete, the constant refers to a constant used to correct or standardize the results, the permeability coefficient refers to an index for measuring the impermeability of the cementitious matrix, the lower the permeability coefficient, the better the impermeability of the cementitious matrix, the average particle size of aggregate refers to the average size of aggregate in concrete, the porosity refers to the proportion of pores in concrete to the total volume, the fluid density refers to the mass-to-volume ratio of a fluid, the dynamic viscosity refers to the ability of a fluid to resist shear deformation, which is related to the internal friction of the fluid, the stress intensity factor refers to an important parameter in fracture mechanics, which is used to describe the stress field intensity near the crack tip, the geometric shape factor is used to describe the crack geometry in the calculation of the stress intensity factor, the stress refers to the stress acting on the cementitious matrix to be promoted, the crack length refers to the crack length in the cementitious matrix to be promoted, and the crack tip stress refers to the stress value at the crack tip due to stress concentration.
[0110] Further, the evaluation of the application loss of the cementitious matrix to be promoted in the application scenario based on the application requirement and the initial performance can be analyzed by Life Cycle Cost Analysis.
[0111] Optionally, the performance optimization target of the cementitious matrix to be promoted is determined based on the application loss, which helps to improve the performance of the cementitious matrix and meet the requirements of the application scenario. Wherein, the performance optimization target refers to the target of performance optimization of the cementitious matrix to be promoted.
[0112] In detail, the performance optimization target of the cement-based body to be improved is determined based on the application loss, including:
[0113] An application loss feature of the application loss is analyzed.
[0114] Based on the application loss feature, a scene influence of the application loss on a corresponding application scene of the cement-based body to be improved is determined.
[0115] Based on the application loss and the scene influence, a key performance to be improved of the cement-based body to be improved is analyzed, and a loss weight of the key performance to be improved in the application loss is identified.
[0116] Based on the loss weight, a performance priority and a performance improvement index of the key performance to be improved are calculated.
[0117] Based on the performance priority and the performance improvement index, a performance optimization target of the cement-based body to be improved is determined.
[0118] The application loss feature refers to specific characteristics of the application loss, such as the type, degree, distribution, etc. of the loss. The scene influence refers to the specific influence of the application loss on the application scene, including the influence on structural safety, functional performance, economic cost, etc. The key performance to be improved refers to the key performance index that has the greatest influence on performance in the application loss. The loss weight refers to the relative importance of the key performance to be improved in the application loss. The performance priority refers to the priority order of the key performance to be improved. The performance improvement index refers to specific performance improvement targets, such as increasing the compressive strength by 20%, reducing the permeability by 50%, etc.
[0119] Further, in the step of calculating the performance priority and the performance improvement index of the key performance to be improved based on the loss weight, the performance priority can be arranged by the weight.
[0120] S2, based on the performance optimization target, analyzing the chemical functional group of the cement-based body to be improved, and based on the chemical functional group, constructing a side chain molecular structure of the cement-based body to be improved, wherein the side chain molecular structure includes a main chain molecular structure and a branched chain molecular structure.
[0121] The application is based on the performance optimization target, and analyzes a chemical functional group of the cement-based body to be improved as a basis for constructing a side chain later. It should be explained that the chemical functional group refers to atoms or atomic groups with specific chemical properties in a molecule, and in a cement-based material, the chemical functional group can interact with the surface of cement particles or hydration products, thereby affecting the performance of the cement-based material. In detail, the chemical functional group can be selected by referring to the literature to understand the application and effect of the existing chemical functional group in the cement-based material.
[0122] Optionally, based on the chemical functional group, the side chain molecular structure of the cement-based body to be improved is constructed, wherein the side chain molecular structure includes a main chain molecular structure and a branched chain molecular structure to ensure that the functional group can be effectively connected to the main chain, and the branched chain molecular structure is designed to ensure that they can extend from the main chain, which will help to improve the performance of the cement-based material and meet the requirements of the application scene. The main chain molecular structure refers to the main part of the side chain molecular structure, which provides the skeleton of the side chain, and the branched chain molecular structure refers to the structure extending from the main chain molecular structure.
[0123] In detail, the construction of the side chain molecular structure of the cement-based body to be improved based on the chemical functional group includes:
[0124] Selecting a main chain material of the cement-based body to be improved;
[0125] Determining a main chain molecular weight of the cement-based body to be improved based on the chemical functional group;
[0126] Analyzing a main chain effective linking mode of the chemical functional group;
[0127] Constructing a main chain molecular structure of the cement-based body to be improved based on the main chain material, the main chain molecular weight and the main chain effective linking mode;
[0128] Determining a number and a length of branched chains of the main chain molecular structure based on a corresponding key performance to be improved of the cement-based body to be improved;
[0129] Determining a branched chain molecular structure of the cement-based body to be improved based on the number and the length of the branched chains;
[0130] Linking the main chain molecular structure and the branched chain molecular structure to obtain the side chain molecular structure of the cement-based body to be improved.
[0131] The main chain material refers to a main part of the side chain molecular structure, which determines the molecular weight, flexibility and reactivity of the side chain, such as polymer, organic macromolecule and the like, the main chain molecular weight refers to the average mass of molecules in the main chain material, which affects the performance of the side chain and the interaction with the cement matrix, the main chain effective linking mode refers to the mode of effectively connecting the chemical functional group to the main chain, such as chemical covalent bonding, ionic bonding, hydrogen bonding, van der Waals force and the like, the number of side chains refers to the number of side chains connected to the main chain, which affects the performance of the side chain and the modification effect, and the length of the side chain refers to the length of the side chain extending from the main chain, which affects the performance of the side chain and the modification effect.
[0132] Further, the linking of the main chain molecular structure and the side chain molecular structure can be realized by chemical synthesis, physical adsorption and the like.
[0133] S3, based on the side chain molecular structure and the chemical functional group, synthesizing the multifunctional side chain to be used for improving the cement matrix.
[0134] The application synthesizes the multifunctional side chain to be used for improving the cement matrix based on the side chain molecular structure and the chemical functional group, which can synthesize the multifunctional side chain with the required performance and apply it to the cement-based material to realize performance optimization. The multifunctional side chain refers to a side chain molecular structure obtained by synthesis or modification, which can simultaneously have multiple functions and thus play multiple roles in the material.
[0135] In detail, the synthesis of the multifunctional side chain to be used for improving the cement matrix based on the side chain molecular structure and the chemical functional group includes:
[0136] determining the synthesis mode of the side chain molecular structure and the chemical functional group;
[0137] based on the synthesis mode, analyzing the synthesis raw materials of the side chain molecular structure and the chemical functional group;
[0138] based on the synthesis mode and the synthesis raw materials, constructing a synthesis route of the side chain molecular structure and the chemical functional group;
[0139] based on the synthesis route and the synthesis raw materials, synthesizing the side chain molecular structure and the chemical functional group to obtain a synthesized multifunctional side chain;
[0140] characterizing and analyzing the synthesized multifunctional side chain to obtain a side chain characterization result;
[0141] when the side chain characterization result meets a preset standard side chain characterization result, the synthesized multifunctional side chain is used as the multifunctional side chain to be used for improving the cement matrix.
[0142] Wherein, the synthesis method refers to the chemical reaction or chemical bonding method of connecting the chemical functional group to the main chain, such as free radical polymerization, ionic polymerization, condensation reaction and the like, the synthesis raw material refers to the chemical substance used for synthesizing the multifunctional side chain, such as main chain material, functional group precursor, solvent, catalyst and the like, the synthesis route refers to the step and sequence of converting the synthesis raw material into the synthesized multifunctional side chain, such as mixing the main chain material and the functional group precursor, adding the catalyst, and performing the heating reaction to obtain the synthesized multifunctional side chain, the synthesized multifunctional side chain is the side chain molecular structure obtained by the synthesis route, and the side chain characterization refers to the characterization result obtained by a series of analysis and testing of the synthesized multifunctional side chain, including structure confirmation, molecular weight distribution, thermal stability calculation, mechanical property analysis and the like.
[0143] Further, the side chain characterization analysis of the synthesized multifunctional side chain can be realized by nuclear magnetic resonance, infrared spectrum, mass spectrum, thermal analysis and the like.
[0144] S4, respectively, three-dimensional modeling is performed on the multifunctional side chain and the cement-based body to be improved to obtain a modeled multifunctional side chain and a modeled cement-based body, and the distribution state of the modeled multifunctional side chain in the modeled cement-based body is analyzed.
[0145] Respectively, three-dimensional modeling is performed on the multifunctional side chain and the cement-based body to be improved to obtain a modeled multifunctional side chain and a modeled cement-based body, and the performance improvement of the side chain to the cement-based body can be realized by model simulation. Wherein, the modeled multifunctional side chain and the modeled cement-based body refer to the multifunctional side chain and the cement-based body constructed by three-dimensional modeling technology.
[0146] In detail, the modeled multifunctional side chain can use three-dimensional modeling software such as Chem3D, ChemDraw, Materials Studio and the like, import the chemical structure of the synthesized multifunctional side chain, and perform three-dimensional modeling according to the molecular structure. The modeled cement-based body is modeled according to the actual size and shape of the cement-based body by AutoCAD, SolidWorks, Revit and the like, and the modeling process considers the microstructure and macro morphology of the cement-based body, such as porosity, pore size distribution, mechanical properties and the like, and sets appropriate material properties, such as density, elastic modulus, Poisson's ratio and the like.
[0147] The present application provides a basis for optimizing the side chain synthesis method and improving the performance in the cement-based body by analyzing the distribution state of the modeled multifunctional side chain in the modeled cement-based body. Wherein, the distribution state refers to the spatial distribution of molecules in the simulation system.
[0148] In detail, the analyzing the distribution state of the modeling multifunctional side chain in the modeling cement matrix comprises:
[0149] determining a position parameter of the modeling multifunctional side chain and the modeling cement matrix;
[0150] creating a molecular motion simulation system of the modeling multifunctional side chain and the modeling cement matrix based on the position parameter;
[0151] configuring a simulation parameter of the molecular motion simulation system;
[0152] simulating a diffusion behavior of the modeling multifunctional side chain based on the simulation parameter;
[0153] analyzing the distribution state of the modeling multifunctional side chain in the modeling cement matrix based on the diffusion behavior.
[0154] Wherein, the position parameter refers to a set of parameters used to describe the interaction between atoms in molecular dynamics simulation, including atomic type, atomic charge, atomic radius, bond length, bond angle, dihedral angle and other parameters, the molecular motion simulation system refers to a simulation environment constructed on a computer, used to simulate the motion of molecules in a physical and chemical environment, the simulation parameter refers to the parameter set when performing molecular dynamics simulation, including temperature, pressure, time step and other parameters, and the diffusion behavior refers to the change and movement of molecules over time in the simulation system, and the diffusion behavior can reflect the movement mode and rate of molecules in the simulation environment.
[0155] Further, the creating a molecular motion simulation system of the modeling multifunctional side chain and the modeling cement matrix can be created by molecular dynamics simulation software (such as GROMACS, AMBER, CHARMM, etc.).
[0156] Further, the analyzing the distribution state of the modeling multifunctional side chain in the modeling cement matrix based on the diffusion behavior comprises:
[0157] analyzing the diffusion path of the diffusion behavior in the modeling cement matrix;
[0158] calculating the diffusion coefficient of the diffusion behavior in the modeling cement matrix by the following formula:
[0159]
[0160] Wherein, A represents the diffusion coefficient of the diffusion behavior in the modeling cement matrix, A0 represents the pre-diffusion coefficient, Y s represents the energy required to reach the maximum diffusion rate under actual conditions, exp represents the exponential function, u Crepresents the Boltzmann constant, H represents the diffusion behavior corresponding temperature;
[0161] Based on the diffusion path and the scattering coefficient, the distribution state of the modeling multifunctional side chain in the modeling cement matrix is analyzed.
[0162] The diffusion path refers to the moving track of the side chain in the simulated cement matrix, the diffusion coefficient refers to the average diffusion rate of the side chain in the simulated system, the pre-diffusion coefficient is a constant independent of temperature, which reflects the maximum diffusion rate that the molecule can reach under the condition of no resistance, the Boltzmann constant is a physical constant, representing the ratio of unit molar heat energy to Kelvin temperature, and its value is about 1.380649*10^-23J / K, which is used to convert energy into thermodynamic temperature, and the diffusion behavior corresponding temperature refers to the average value of the kinetic energy of the diffusion behavior molecule, which is a very important parameter in molecular dynamics simulation.
[0163] S5, the binding energy of the modeling multifunctional side chain and the modeling cement matrix is calculated, based on the distribution state and the binding energy, the performance improvement coefficient of the multifunctional side chain to the cement matrix to be improved is analyzed, and when the performance improvement coefficient meets the preset performance improvement threshold, the performance improvement of the cement matrix to be improved is performed by using the multifunctional side chain.
[0164] The present application can calculate the energy change of the interaction between the side chain and the cement matrix in the simulation process by calculating the binding energy of the modeling multifunctional side chain and the modeling cement matrix, which provides a basis for optimizing the synthesis method of the side chain and improving its performance in the cement matrix. The binding energy refers to the total energy of the interaction between the multifunctional side chain and the cement matrix.
[0165] In detail, the calculation of the binding energy of the modeling multifunctional side chain and the modeling cement matrix comprises:
[0166] Identify the interaction behavior of the modeling multifunctional side chain and the modeling cement matrix;
[0167] Calculate the interaction energy of the interaction behavior, and record the energy sequence combination of the interaction energy;
[0168] Based on the preset initial energy and the energy sequence combination, the energy transformation curve of the interaction behavior is constructed;
[0169] Based on the energy transformation curve, the binding energy of the modeling multifunctional side chain and the modeling cement matrix is calculated by using the following formula:
[0170]
[0171] Wherein, M represents the binding energy of the modeling multifunctional side chain and the modeling cement matrix, ΔZ i represents the energy conversion value of the energy conversion curve at the i th time node, F represents the number of corresponding time nodes of the energy conversion curve.
[0172] Wherein, the interaction behavior refers to the interaction process between the multifunctional side chain and the cement matrix in the molecular dynamics simulation, which may include chemical bond formation, rupture, hydrogen bond, van der Waals force, etc., the interaction energy refers to the interaction energy between the multifunctional side chain and the cement matrix in the molecular dynamics simulation, the preset initial energy refers to the initial energy between the multifunctional side chain and the cement matrix at the beginning of the molecular dynamics simulation, the energy sequence combination refers to the sequence of the interaction energy between the multifunctional side chain and the cement matrix changing with time during the simulation, the energy conversion curve refers to the curve of the interaction energy between the multifunctional side chain and the cement matrix changing with time during the simulation, and the energy conversion value refers to the difference between the energies of adjacent time points.
[0173] Optionally, based on the distribution state and the binding energy, the performance improvement coefficient of the multifunctional side chain on the cement matrix to be improved can be used to evaluate the reliability of the multifunctional side chain on the performance improvement of the cement matrix to be improved. Wherein, the performance improvement coefficient refers to the degree of performance improvement of the multifunctional side chain on the cement matrix to be improved.
[0174] In detail, the performance improvement coefficient can be analyzed by analyzing the uniformity of the distribution state and the energy conversion degree of the binding energy. For example, according to the preset uniformity threshold, the distribution state is set to uneven distribution, relatively uniform distribution and uniform distribution, and according to the binding energy conversion threshold, the binding energy is set to low binding energy, medium binding energy and high binding energy. Wherein, the performance improvement coefficient of the distribution state of uneven distribution, relatively uniform distribution and uniform distribution is divided into 0.1, 0.3 and 0.5, and the performance improvement coefficient of the binding energy of low binding energy, medium binding energy and high binding energy is divided into 0.1, 0.3 and 0.5. When the distribution state is relatively uniform distribution, the binding energy is low binding energy, and the performance improvement coefficient is 0.3+0.1 equal to 0.4. The higher the performance improvement coefficient, the higher the performance improvement intensity of the multifunctional side chain on the cement matrix to be improved. The performance improvement threshold refers to the threshold for evaluating whether the performance improvement of the multifunctional side chain on the cement matrix to be improved meets the requirements, for example, the performance improvement threshold is between 0.6 and 1.0.
[0175] The application can improve the performance optimization effect of the cement-based material.
[0176] As shown in Figure 2 FIG. 1 is a functional module diagram of a cement-based material performance optimization system based on side chain synthesis according to an embodiment of the application.
[0177] The cement-based material performance optimization system based on side chain synthesis 100 can be installed in an electronic device. According to the functions to be implemented, the cement-based material performance optimization system based on side chain synthesis 100 can include a performance optimization target determination module 101, a side chain molecular structure design module 102, a multifunctional side chain synthesis module 103, a distribution state analysis module 104, and a side chain performance improvement module 105. The modules of the application can also be referred to as units, which refer to a series of computer program segments that can be executed by an electronic device processor and can complete a fixed function, and are stored in the memory of the electronic device.
[0178] The performance optimization target determination module 101 is configured to obtain an application scenario of a cement-based body to be improved, analyze application loss of the cement-based body to be improved in the application scenario, and determine a performance optimization target of the cement-based body to be improved based on the application loss.
[0179] The side chain molecular structure design module 102 is configured to analyze a chemical functional group of the cement-based material to be improved based on the performance optimization target, and construct a side chain molecular structure of the cement-based material to be improved based on the chemical functional group, wherein the side chain molecular structure comprises a main chain molecular structure and a branched chain molecular structure.
[0180] The multifunctional side chain synthesis module 103 is configured to synthesize a multifunctional side chain of the cement-based material to be improved based on the side chain molecular structure and the chemical functional group.
[0181] The distribution state analysis module 104 is configured to perform three-dimensional modeling on the multifunctional side chain and the cement-based material to be improved respectively to obtain a modeled multifunctional side chain and a modeled cement-based material, and analyze a distribution state of the modeled multifunctional side chain in the modeled cement-based material.
[0182] The side chain performance improvement module 105 is configured to calculate a binding energy of the modeled multifunctional side chain and the modeled cement-based material, analyze a performance improvement coefficient of the multifunctional side chain on the cement-based material to be improved based on the distribution state and the binding energy, and perform performance improvement of the cement-based material to be improved by using the multifunctional side chain when the performance improvement coefficient meets a preset performance improvement threshold.
[0183] In detail, the modules in the cement-based material performance optimization system based on side chain synthesis 100 in the embodiment of the present application adopt the same technical means as the cement-based material performance optimization method based on side chain synthesis in the above Figure 1 , and can produce the same technical effects, which will not be described here.
[0184] As Figure 3 shown is a structural schematic diagram of an electronic device for implementing the cement-based material performance optimization method based on side chain synthesis according to an embodiment of the present application.
[0185] The electronic device 1 can comprise a processor 10, a memory 11 and a bus 12, and can further comprise a computer program stored in the memory 11 and executable on the processor 10, such as a cement-based material performance optimization method program based on side chain synthesis.
[0186] The memory 11 includes at least one type of readable storage medium, such as a flash memory, a mobile hard disk, a multimedia card, a card-type memory (e.g., an SD or DX memory, etc.), a magnetic memory, a disk, an optical disk, etc. In some embodiments, the memory 11 can be an internal storage unit of the electronic device 1, such as a mobile hard disk of the electronic device 1. In other embodiments, the memory 11 can also be an external storage device of the electronic device 1, such as a plug-in mobile hard disk, a smart media card (SMC), a secure digital (SD) card, a flash card, etc. equipped on the electronic device 1. Further, the memory 11 includes both an internal storage unit and an external storage device of the electronic device 1. The memory 11 can be used to store application software and various data installed on the electronic device 1, such as the code of the method for optimizing the performance of a cement-based material based on side-chain synthesis, and can also be used to temporarily store data that has been output or will be output.
[0187] The processor 10 can be composed of an integrated circuit in some embodiments, such as a single packaged integrated circuit, or a plurality of packaged integrated circuits with the same or different functions, including one or more combinations of a central processing unit (CPU), a microprocessor, a digital processing chip, a graphics processor, and various control chips, etc. The processor 10 is the control unit of the electronic device, which connects various components of the entire electronic device through various interfaces and lines, executes programs or modules stored in the memory 11 (such as the method for optimizing the performance of a cement-based material based on side-chain synthesis), and calls data stored in the memory 11, to perform various functions and process data of the electronic device 1.
[0188] The bus 12 can be a peripheral component interconnect (PCI) bus or an extended industry standard architecture (EISA) bus, etc. The bus 12 can be divided into an address bus, a data bus, a control bus, etc. The bus 12 is configured to realize the connection and communication between the memory 11 and at least one processor 10, etc.
[0189] Figure 3 Only the electronic device with components is shown, and those skilled in the art can understand that, Figure 3The illustrated structure does not constitute a limitation on the electronic device 1, and can include fewer or more components than illustrated, or combine certain components, or different component arrangements.
[0190] For example, although not shown, the electronic device 1 can also include a power source (such as a battery) to power the various components. Preferably, the power source can be logically connected to the at least one processor 10 through a power management device, so that the power management device can implement functions such as charge management, discharge management, and power consumption management. The power source can also include one or more DC or AC power sources, recharging devices, power failure detection circuits, power converters or inverters, power status indicators, and any other components. The electronic device 1 can also include various sensors, Bluetooth modules, Wi-Fi modules, and the like, which are not described here.
[0191] Further, the electronic device 1 can also include a network interface, which can optionally include a wired interface and / or a wireless interface (such as a WI-FI interface, a Bluetooth interface, etc.), and is typically used to establish a communication connection between the electronic device 1 and other electronic devices.
[0192] Optionally, the electronic device 1 can also include a user interface, which can be a display (Display), an input unit (such as a keyboard (Keyboard)), and optionally a standard wired interface, a wireless interface. Optionally, in some embodiments, the display can be an LED display, a liquid crystal display, a touch liquid crystal display, an OLED (Organic Light-Emitting Diode) touch, etc. The display can also be appropriately referred to as a display screen or a display unit, and is used to display information processed in the electronic device 1 and to display a visualized user interface.
[0193] It should be understood that the embodiments are only for illustration and are not limited in the scope of the patent application by this structure.
[0194] The program of the method for optimizing the performance of a cement-based material based on side-chain synthesis stored in the memory 11 in the electronic device 1 is a combination of multiple instructions, which, when executed in the processor 10, can achieve:
[0195] Obtaining an application scenario of a cement-based body to be improved, analyzing application losses of the cement-based body to be improved in the application scenario, and determining a performance optimization target of the cement-based body to be improved based on the application losses;
[0196] analyze a chemical functional group of the cement-based body to be improved, and construct a side chain molecular structure of the cement-based body to be improved based on the chemical functional group, wherein the side chain molecular structure comprises a main chain molecular structure and a branched chain molecular structure;
[0197] synthesize a multifunctional side chain of the cement-based body to be improved based on the side chain molecular structure and the chemical functional group;
[0198] respectively model the multifunctional side chain and the cement-based body to be improved to obtain a modeled multifunctional side chain and a modeled cement-based body, and analyze a distribution state of the modeled multifunctional side chain in the modeled cement-based body;
[0199] calculate a binding energy of the modeled multifunctional side chain and the modeled cement-based body, analyze a performance improvement coefficient of the multifunctional side chain on the cement-based body to be improved based on the distribution state and the binding energy, and perform performance improvement of the cement-based body to be improved by using the multifunctional side chain when the performance improvement coefficient meets a preset performance improvement threshold.
[0200] Specifically, the specific implementation method of the processor 10 to the above instructions can refer to Figures 1 to 3 The description of related steps in the corresponding embodiments will not be repeated here.
[0201] Further, the modules / units integrated in the electronic device 1 can be stored in a computer readable storage medium if they are realized in the form of software function units and sold or used as independent products. The computer readable storage medium can be volatile or non-volatile. For example, the computer readable medium can include any entity or device capable of carrying the computer program code, recording medium, U disk, mobile hard disk, magnetic disk, optical disk, computer memory, read-only memory (ROM, Read-Only Memory).
[0202] The application also provides a computer readable storage medium, which stores a computer program, and the computer program can realize the following when executed by a processor of an electronic device:
[0203] obtain an application scenario of a cement-based body to be improved, analyze application loss of the cement-based body to be improved in the application scenario, and determine a performance optimization target of the cement-based body to be improved based on the application loss;
[0204] analyze a chemical functional group of the cement-based body to be improved based on the performance optimization target, and construct a side chain molecular structure of the cement-based body to be improved based on the chemical functional group, wherein the side chain molecular structure comprises a main chain molecular structure and a branched chain molecular structure;
[0205] Synthesizing the multifunctional side chain to be used to improve the cement matrix based on the side chain molecular structure and the chemical functional group;
[0206] Respectively, three-dimensional modeling is performed on the multifunctional side chain and the cement matrix to be improved to obtain a modeled multifunctional side chain and a modeled cement matrix, and the distribution state of the modeled multifunctional side chain in the modeled cement matrix is analyzed;
[0207] The binding energy of the modeled multifunctional side chain and the modeled cement matrix is calculated, the performance improvement coefficient of the multifunctional side chain on the cement matrix to be improved is analyzed based on the distribution state and the binding energy, and the performance of the cement matrix to be improved is improved by using the multifunctional side chain when the performance improvement coefficient meets a preset performance improvement threshold.
[0208] In several embodiments provided in the present application, it should be understood that the disclosed devices, systems and methods can be implemented in other ways. For example, the above-described system embodiments are only illustrative, and actual implementation can have another division manner.
[0209] The modules described as separate components can or can not be physically separated, and the components shown as modules can or can not be physical units, i.e., they can be located in one place or distributed on multiple network units. Part or all of the modules can be selected to achieve the purpose of the embodiment according to actual needs.
[0210] In addition, each functional module in each embodiment of the present application can be integrated in one processing unit, or each unit can exist physically separately, or two or more units can be integrated in one unit. The integrated unit can be realized in the form of hardware or in the form of hardware plus software functional modules.
[0211] It is obvious for those skilled in the art that the present application is not limited to the details of the above exemplary embodiments, and the present application can be implemented in other specific forms without departing from the spirit or essential characteristics of the present application.
[0212] In addition, it is obvious that the word "comprising" does not exclude other units or steps, and the singular does not exclude the plural. The plurality of units or devices stated in the system claims can also be implemented by one unit or device through software or hardware. The second word is used to indicate the name, and does not indicate any specific order.
[0213] Finally, it should be noted that the above examples are merely intended to illustrate the technical solutions of the present application and not to limit the present application. Although the present application has been described in detail with reference to the preferred embodiments, those skilled in the art should understand that the technical solutions of the present application can be modified or equivalently replaced without departing from the spirit and scope of the technical solutions of the present application.
Claims
1. A method for optimizing the performance of cement-based materials based on side-chain synthesis, characterized in that, The method includes: The process involves identifying the application scenarios of the cement matrix to be improved, analyzing the application losses of the cement matrix in these scenarios, and determining the performance optimization targets of the cement matrix based on these application losses. The analysis of the application losses includes: identifying the application scenarios and the characteristics of the cement matrix itself; analyzing the application requirements of the cement matrix based on the application scenario characteristics; determining the performance influencing factors of the cement matrix based on the cement matrix characteristics; analyzing the initial performance of the cement matrix based on the performance influencing factors, the application scenario characteristics, and the cement matrix characteristics; and evaluating the application losses of the cement matrix in the application scenarios based on the application requirements and the initial performance. The analysis of the initial performance of the cement matrix based on the performance influencing factors, the application scenario characteristics, and the cement matrix characteristics includes: analyzing the initial performance calculation parameters of the cement matrix based on the performance influencing factors, the application scenario characteristics, and the cement matrix characteristics; and calculating the compressive strength of the cement matrix based on the initial performance calculation parameters using the following formula: ; in, This indicates the compressive strength of the cementitious matrix to be improved. This indicates the water-cement ratio, which represents the initial performance calculation parameter corresponding to the cement matrix to be improved. This indicates the 28-day compressive strength of the cement matrix to be improved. This indicates the compressive strength of the corresponding aggregate in the cement matrix that needs to be improved. Represents a constant; Based on the initial performance calculation parameters, the impermeability coefficient of the cement matrix to be improved is calculated using the following formula: ; in, This indicates the impermeability coefficient of the cementitious matrix to be improved. This indicates the average aggregate size corresponding to the initial performance calculation parameters. This indicates the porosity corresponding to the initial performance calculation parameters. This indicates the fluid density corresponding to the initial performance calculation parameters. This indicates the dynamic viscosity corresponding to the initial performance calculation parameters; Based on the initial performance calculation parameters, the stress intensity factor of the cement matrix to be improved is calculated using the following formula: ; in, This indicates the stress intensity factor of the cement matrix to be improved. This indicates the geometry factor corresponding to the initial performance calculation parameters. This indicates the stress corresponding to the initial performance calculation parameters. This indicates the crack length corresponding to the initial performance calculation parameters. Represents pi (π). The initial performance calculation parameters correspond to the stress at the crack tip. Based on the compressive strength, the impermeability coefficient, and the stress intensity factor, the initial performance of the cement matrix to be improved is analyzed. Based on the performance optimization objective, the chemical functional groups of the cement matrix to be improved are analyzed, and based on the chemical functional groups, the side chain molecular structure of the cement matrix to be improved is constructed, wherein the side chain molecular structure includes a main chain molecular structure and a branched molecular structure. Based on the side chain molecular structure and the chemical functional groups, the multifunctional side chain of the cement matrix to be improved is synthesized. The multifunctional side chain and the cement matrix to be improved are modeled in three dimensions to obtain the modeled multifunctional side chain and the modeled cement matrix. The distribution of the modeled multifunctional side chain in the modeled cement matrix is analyzed. Calculate the bonding energy between the modeled multifunctional side chain and the modeled cement matrix. Based on the distribution state and the bonding energy, analyze the performance improvement coefficient of the multifunctional side chain on the cement matrix to be improved. When the performance improvement coefficient meets the preset performance improvement threshold, use the multifunctional side chain to improve the performance of the cement matrix to be improved.
2. The method for optimizing the performance of cement-based materials based on side-chain synthesis as described in claim 1, characterized in that, The process of determining the performance optimization target of the cement matrix to be improved based on the application loss includes: Analyze the application loss characteristics of the application loss; Based on the application loss characteristics, the impact of the application loss on the corresponding application scenario of the cement matrix to be improved is determined; Based on the application loss and the scenario impact, the key performance characteristics of the cement matrix to be improved are analyzed, and the loss weight of the key performance characteristics to be improved in the application loss is identified. Based on the loss weights, calculate the performance priority and performance improvement indicators of the key performance aspects to be improved; Based on the performance priority and the performance improvement index, the performance optimization target of the cement matrix to be improved is determined.
3. The method for optimizing the performance of cement-based materials based on side-chain synthesis as described in claim 2, characterized in that, The construction of the side-chain molecular structure of the cement matrix to be improved based on the chemical functional groups includes: Select the main chain material of the cement matrix to be improved; Based on the aforementioned chemical functional groups, the main chain molecular weight of the cement matrix to be improved is determined; Analyze the effective main chain linkage of the chemical functional groups; Based on the main chain material, the main chain molecular weight, and the effective linking method of the main chain, the main chain molecular structure of the cement matrix to be improved is constructed. Based on the key performance characteristics to be improved corresponding to the cement matrix to be improved, the number and length of branches of the main chain molecular structure are determined. The branched molecular structure of the cement matrix to be improved is determined based on the number of branches and the length of the branches. The main chain molecular structure and the branched molecular structure are linked to obtain the side chain molecular structure of the cement matrix to be improved.
4. The method for optimizing the performance of cement-based materials based on side-chain synthesis as described in claim 3, characterized in that, The synthesis of the multifunctional side chain for improving the cement matrix based on the side chain molecular structure and the chemical functional groups includes: Determine the synthetic method of the side chain molecular structure and the chemical functional group; Based on the aforementioned synthesis method, the synthetic raw materials for the side chain molecular structure and the chemical functional groups were analyzed. Based on the described synthesis method and the described raw materials, a synthetic route for constructing the side chain molecular structure and the described chemical functional groups is provided. Based on the synthetic route and the synthetic raw materials, the side chain molecular structure and the chemical functional group are synthesized to obtain a synthetic multifunctional side chain. The side chain characterization analysis of the synthesized multifunctional side chain yielded the side chain characterization results; When the side chain characterization result meets the preset standard side chain characterization result, the synthetic multifunctional side chain is used as the multifunctional side chain of the cement matrix to be improved.
5. The method for optimizing the performance of cement-based materials based on side-chain synthesis as described in claim 4, characterized in that, The analysis of the distribution of the modeling multifunctional side chains in the modeled cement matrix includes: Determine the position parameters of the modeled multifunctional side chain and the modeled cement matrix; Based on the aforementioned position parameters, a molecular motion simulation system for the modeled multifunctional side chain and the modeled cement matrix is created. Configure the simulation parameters of the molecular motion simulation system; Based on the simulation parameters, the diffusion behavior of the modeled multifunctional sidechain is simulated; Based on the diffusion behavior, the distribution of the modeled multifunctional side chains in the modeled cement matrix is analyzed.
6. The method for optimizing the performance of cement-based materials based on side-chain synthesis as described in claim 5, characterized in that, The analysis of the distribution of the modeling multifunctional side chains in the modeled cement matrix based on the diffusion behavior includes: Analyze the diffusion path of the diffusion behavior in the modeled cement matrix; The diffusion coefficient of the diffusion behavior in the modeled cement matrix is calculated using the following formula: ; in, The diffusion coefficient represents the diffusion behavior in the modeled cement matrix. Indicates the pre-diffusion coefficient. This represents the energy required to reach the maximum diffusion rate under real-world conditions, representing the simulated diffusion behavior. Represents an exponential function. Represents Boltzmann's constant. This indicates the temperature corresponding to the diffusion behavior; Based on the diffusion path and the diffusion coefficient, the distribution of the modeling multifunctional side chain in the modeled cement matrix is analyzed.
7. The method for optimizing the performance of cement-based materials based on side-chain synthesis as described in claim 6, characterized in that, The calculation of the bonding energy between the modeled multifunctional side chain and the modeled cement matrix includes: Identify the interaction behavior between the modeled multifunctional side chains and the modeled cement matrix; Calculate the interaction energy of the interaction behavior and record the energy sequence combination of the interaction energy; Based on the preset initial energy and the energy sequence combination, an energy transformation curve for the interaction behavior is constructed; Based on the energy transformation curve, the bonding energy between the modeled multifunctional side chain and the modeled cement matrix is calculated using the following formula: ; in, This indicates the bonding energy between the multifunctional side chains and the cementitious matrix being modeled. The energy transformation curve represents the first Energy transformation values at each time point This indicates the number of time nodes corresponding to the energy transformation curve.
8. A performance optimization system for cement-based materials based on side-chain synthesis, characterized in that, The system includes: A performance optimization target determination module is used to acquire the application scenarios of the cement matrix to be improved, analyze the application losses of the cement matrix to be improved in the application scenarios, and determine the performance optimization targets of the cement matrix to be improved based on the application losses. The analysis of the application losses of the cement matrix to be improved in the application scenarios includes: identifying the application scenarios and the application scenario characteristics and cement matrix characteristics of the cement matrix to be improved; analyzing the application requirements of the cement matrix to be improved based on the application scenario characteristics; determining the performance influencing factors of the cement matrix to be improved based on the cement matrix characteristics; and determining the performance optimization targets of the cement matrix to be improved based on the performance influencing factors and the... Based on the characteristics of the application scenario and the characteristics of the cement matrix, the initial performance of the cement matrix to be improved is analyzed. Based on the application requirements and the initial performance, the application loss of the cement matrix to be improved in the application scenario is evaluated. Specifically, the analysis of the initial performance of the cement matrix to be improved based on the performance influencing factors, the application scenario characteristics, and the cement matrix characteristics includes: analyzing the initial performance calculation parameters of the cement matrix to be improved based on the performance influencing factors, the application scenario characteristics, and the cement matrix characteristics; and calculating the compressive strength of the cement matrix to be improved using the following formula based on the initial performance calculation parameters: ; in, This indicates the compressive strength of the cementitious matrix to be improved. This indicates the water-cement ratio, which represents the initial performance calculation parameter corresponding to the cement matrix to be improved. This indicates the 28-day compressive strength of the cement matrix to be improved. This indicates the compressive strength of the corresponding aggregate in the cement matrix that needs to be improved. Represents a constant; Based on the initial performance calculation parameters, the impermeability coefficient of the cement matrix to be improved is calculated using the following formula: ; in, This indicates the impermeability coefficient of the cement matrix to be improved. This indicates the average aggregate size corresponding to the initial performance calculation parameters. This indicates the porosity corresponding to the initial performance calculation parameters. This indicates the fluid density corresponding to the initial performance calculation parameters. This indicates the dynamic viscosity corresponding to the initial performance calculation parameters; Based on the initial performance calculation parameters, the stress intensity factor of the cement matrix to be improved is calculated using the following formula: ; in, This indicates the stress intensity factor of the cement matrix to be improved. This indicates the geometry factor corresponding to the initial performance calculation parameters. This indicates the stress corresponding to the initial performance calculation parameters. This indicates the crack length corresponding to the initial performance calculation parameters. Represents pi (π). The initial performance calculation parameters correspond to the stress at the crack tip. Based on the compressive strength, the impermeability coefficient, and the stress intensity factor, the initial performance of the cement matrix to be improved is analyzed. A side-chain molecular structure design module is used to analyze the chemical functional groups of the cement matrix to be improved based on the performance optimization target, and to construct the side-chain molecular structure of the cement matrix to be improved based on the chemical functional groups, wherein the side-chain molecular structure includes a main chain molecular structure and a branched molecular structure. A multifunctional side chain synthesis module is used to synthesize the multifunctional side chain of the cement matrix to be improved based on the side chain molecular structure and the chemical functional groups. The distribution state analysis module is used to perform three-dimensional modeling of the multifunctional side chain and the cement matrix to be improved, respectively, to obtain the modeled multifunctional side chain and the modeled cement matrix, and to analyze the distribution state of the modeled multifunctional side chain in the modeled cement matrix. The sidechain performance enhancement module is used to calculate the bonding energy between the modeled multifunctional sidechain and the modeled cement matrix. Based on the distribution state and the bonding energy, it analyzes the performance enhancement coefficient of the multifunctional sidechain on the cement matrix to be enhanced. When the performance enhancement coefficient meets the preset performance enhancement threshold, the multifunctional sidechain is used to perform performance enhancement of the cement matrix to be enhanced.
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