Cement-based material performance optimization method and system based on side chain synthesis
By analyzing the application scenarios and chemical functional groups of cement matrix, building and synthesizing multifunctional side chains, the problem of poor performance optimization effect of cement-based materials in the existing technology is solved, and more effective performance improvement and modification space is achieved.
Patent Information
- Application Number
- CN202411511748.8
- Authority / Receiving Office
- CN · China
- Patent Type
- Applications(China)
- Current Assignee / Owner
- Filing Date
- 2024-10-28
- Publication Date
- 2025-03-04
- Estimated Expiration
- 2044-10-28
AI Technical Summary
The prior art is not effective in improving the performance of cement-based materials and cannot provide a wider and in-depth modification space.
By obtaining the application scenarios of the cement matrix to be lifted, analyzing its application losses, determining performance optimization goals, building side chain molecular structures based on chemical functional groups, synthesizing multifunctional side chains, and evaluating its performance improvement coefficient through three-dimensional modeling and binding energy calculation.
It has achieved more effective improvement in the performance of cement-based materials, met the requirements of application scenarios, and provided a wider range of modification space.
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Figure CN119560065A_ABST
Abstract
Description
Technical Field
[0001] The present invention relates to the field of material science, and in particular to a method and system for optimizing cement-based material performance based on side chain synthesis. Background Art
[0002] Cement-based material performance optimization refers to the process of improving the mechanical properties, durability, workability and other related properties of cement-based composite materials (such as concrete, mortar, etc.) through a series of technical means and process improvements. Through reasonable design and construction, cement-based materials can achieve the best performance and cost balance while meeting engineering requirements.
[0003] At present, the performance optimization of cement-based materials is mainly achieved through the selection and ratio adjustment of raw materials, the addition of chemical admixtures and the blending of mineral admixtures. This method can only improve the performance of cement-based materials to a certain extent and cannot provide a wider and deeper modification space, resulting in poor performance optimization of cement-based materials. Summary of the invention
[0004] The present invention provides a cement-based material performance optimization method and system based on side chain synthesis, the main purpose of which is to improve the performance optimization effect of cement-based materials.
[0005] To achieve the above object, the present invention provides a method for optimizing cement-based material performance based on side chain synthesis, comprising:
[0006] Acquire an application scenario of the cement matrix to be improved, analyze the application loss of the cement matrix to be improved in the application scenario, and determine a performance optimization target of the cement matrix to be improved based on the application loss;
[0007] Based on the performance optimization target, analyzing the chemical functional groups of the cement matrix to be improved, and constructing 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 chain molecular structure;
[0008] Based on the side chain molecular structure and the chemical functional group, synthesizing the multifunctional side chain of the cement matrix to be improved;
[0009] Performing three-dimensional modeling on the multifunctional side chains and the cement matrix to be improved respectively to obtain modeled multifunctional side chains and modeled cement matrix, and analyzing the distribution state of the modeled multifunctional side chains in the modeled cement matrix;
[0010] The binding energy between the modeled multifunctional side chain and the modeled cement matrix is calculated, and 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 is analyzed; when the performance improvement coefficient meets a preset performance improvement threshold, the multifunctional side chain is used to improve the performance of the cement matrix to be improved.
[0011] Optionally, the analyzing the application loss of the cement matrix to be lifted in the application scenario includes:
[0012] Respectively identifying application scenario characteristics and cement matrix characteristics of the application scenario and the cement matrix to be lifted;
[0013] Based on the application scenario characteristics, analyzing the application requirements of the cement matrix to be improved;
[0014] Based on the characteristics of the cement matrix, determining the performance influencing factors of the cement matrix to be improved;
[0015] Analyzing 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;
[0016] 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.
[0017] Optionally, analyzing 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:
[0018] Based on the performance influencing factors, the application scenario characteristics and the cement matrix characteristics, analyzing the initial performance calculation parameters of the cement matrix to be improved;
[0019] Based on the initial performance calculation parameters, the compressive strength of the cement matrix to be improved is calculated using the following formula:
[0020]
[0021] Where τ represents the compressive strength of the cement matrix to be improved, The water-cement ratio of the cement matrix to be improved corresponding to the initial performance calculation parameters, Indicates the 28-day compressive strength of the cement matrix to be improved, τ cn It represents the compressive strength of the aggregate corresponding to the cement matrix to be improved, and G represents a constant;
[0022] Based on the initial performance calculation parameters, the impermeability coefficient of the cement matrix to be improved is calculated using the following formula:
[0023]
[0024] Among them, ∈ represents the impermeability coefficient of the cement matrix to be improved, n represents the average aggregate 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 parameters, the stress intensity factor of the cement matrix to be improved is calculated using the following formula:
[0026]
[0027] Among them, ρ represents the stress intensity factor of the cement matrix to be improved, 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 circumference, and h(t) represents the stress at the crack tip corresponding to the initial performance calculation parameter;
[0028] 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.
[0029] Optionally, determining the performance optimization target of the cement matrix to be improved based on the application loss includes:
[0030] Analyzing application loss characteristics of the application loss;
[0031] Based on the application loss characteristics, determining the scenario impact of the application loss on the application scenario corresponding to the cement matrix to be lifted;
[0032] Based on the application loss and the scenario impact, analyzing the key performance to be improved of the cement matrix to be improved, and identifying the loss weight of the key performance to be improved in the application loss;
[0033] Based on the loss weight, calculating the performance priority and performance improvement index of the key performance to be improved;
[0034] Based on the performance priority and the performance improvement index, a performance optimization target of the cement matrix to be improved is determined.
[0035] Optionally, constructing the side chain molecular structure of the cement matrix to be improved based on the chemical functional groups includes:
[0036] Selecting the backbone material of the cement matrix to be improved;
[0037] Based on the chemical functional groups, determining the main chain molecular weight of the cement matrix to be improved;
[0038] Analyze the effective linking mode of the main chain of the chemical functional groups;
[0039] Based on the main chain material, the main chain molecular weight and the effective linking mode of the main chain, construct the main chain molecular structure of the cement matrix to be improved;
[0040] Based on the key properties to be improved corresponding to the cement matrix to be improved, determining the number and length of the branches of the main chain molecular structure;
[0041] Determining the branched molecular structure of the cement matrix to be improved based on the number of branches and the length of the branches;
[0042] The main chain molecular structure and the branch chain molecular structure are linked to obtain the side chain molecular structure of the cement matrix to be improved.
[0043] Optionally, the multifunctional side chain of the cement matrix to be improved is synthesized based on the side chain molecular structure and the chemical functional group, comprising:
[0044] Determining the side chain molecular structure and the synthesis method of the chemical functional group;
[0045] Based on the synthesis method, analyzing the side chain molecular structure and the synthetic raw materials of the chemical functional groups;
[0046] Based on the synthesis method and the synthesis raw materials, construct the synthesis route of the side chain molecular structure and the chemical functional group;
[0047] 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;
[0048] Characterizing and analyzing the side chains of the synthetic multifunctional side chains to obtain side chain characterization results;
[0049] 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.
[0050] Optionally, the analyzing the distribution state of the modeled multifunctional side chains in the modeled cement matrix comprises:
[0051] determining position parameters of the modeled multifunctional side chains and the modeled cementitious matrix;
[0052] Based on the position parameters, a molecular motion simulation system of the modeled multifunctional side chain and the modeled cement matrix is created;
[0053] configuring simulation parameters of the molecular motion simulation system;
[0054] simulating the diffusion behavior of the modeled multifunctional side chain based on the simulation parameters;
[0055] Based on the diffusion behavior, the distribution state of the modeled multifunctional side chains in the modeled cement matrix was analyzed.
[0056] Optionally, analyzing the distribution state of the modeled multifunctional side chains in the modeled cement matrix based on the diffusion behavior comprises:
[0057] Analyzing the diffusion behavior in the diffusion path of the modeled cement matrix;
[0058] The diffusion coefficient of the diffusion behavior in the modeled cement matrix was calculated using the following formula:
[0059]
[0060] Where A represents the diffusion coefficient of the cement matrix in the modeling diffusion behavior, A0 represents the pre-diffusion coefficient, Y s represents the energy required to achieve the maximum diffusion rate under actual conditions to simulate diffusion behavior, exp represents the exponential function, and u C represents the Boltzmann constant, H represents the temperature corresponding to the diffusion behavior;
[0061] Based on the diffusion path and the diffusion coefficient, the distribution state of the modeled multifunctional side chains in the modeled cement matrix is analyzed.
[0062] Optionally, the calculating the binding energy between the modeled multifunctional side chain and the modeled cement matrix comprises:
[0063] identifying the interaction behavior of the modeled multifunctional side chains and the modeled cement matrix;
[0064] calculating the interaction energy of the interaction behavior, and recording the energy sequence combination of the interaction energy;
[0065] Based on the preset initial energy and the energy sequence combination, constructing an energy conversion curve of the interaction behavior;
[0066] Based on the energy conversion curve, the binding energy between the modeled multifunctional side chain and the modeled cement matrix is calculated using the following formula:
[0067]
[0068] Where M represents the binding energy between the modeled multifunctional side chain and the modeled cement matrix, ΔZ i represents the energy conversion value of the i-th time node of the energy conversion curve, and F represents the number of time nodes corresponding to the energy conversion curve.
[0069] To achieve the above object, the present invention also provides a cement-based material performance optimization system based on side chain synthesis, comprising:
[0070] A performance optimization target determination module is used to obtain an application scenario of the cement matrix to be improved, analyze the application loss of the cement matrix to be improved in the application scenario, and determine the performance optimization target of the cement matrix to be improved based on the application loss;
[0071] A side chain molecular structure design module, for analyzing the chemical functional groups of the cement matrix to be improved based on the performance optimization target, and constructing 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 chain molecular structure;
[0072] A multifunctional side chain synthesis module, 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 group;
[0073] A distribution state analysis module is used to perform three-dimensional modeling on the multifunctional side chains and the cement matrix to be improved, respectively, to obtain modeled multifunctional side chains and modeled cement matrix, and to analyze the distribution state of the modeled multifunctional side chains in the modeled cement matrix;
[0074] The side chain performance improvement module is used to calculate the binding energy between the modeled multifunctional side chain and the modeled cement matrix, and 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. When the performance improvement coefficient meets the preset performance improvement threshold, the multifunctional side chain is used to perform the performance improvement of the cement matrix to be improved.
[0075] In order to solve the above problem, the present invention further provides an electronic device, the electronic device comprising:
[0076] a memory storing at least one instruction; and
[0077] A processor executes the instructions stored in the memory to implement the above-mentioned cement-based material performance optimization method based on side chain synthesis.
[0078] In order to solve the above problems, the present invention also provides a computer-readable storage medium, in which at least one instruction is stored, and the at least one instruction is executed by a processor in an electronic device to implement the above-mentioned cement-based material performance optimization method based on side chain synthesis.
[0079] The present invention analyzes the application loss of the cement matrix to be improved in the application scenario, which can be used as a basis for later determination of the optimization performance target; optionally, the present invention determines the performance optimization target of the cement matrix to be improved based on the application loss, which helps to improve the performance of the cement matrix and meet the requirements of the application scenario; based on the performance optimization target, the present invention analyzes the chemical functional groups of the cement matrix to be improved, which can be used as a basis for later construction of side chains; based on the molecular structure of the side chain and the chemical functional groups, the present invention synthesizes the multifunctional side chains of the cement matrix to be improved, which can synthesize multifunctional side chains with desired properties, and apply them to cement-based materials to achieve The present invention provides a basis for optimizing the side chain synthesis method and improving its performance in the cement matrix by analyzing the distribution state of the modeled multifunctional side chain in the modeled cement matrix. Finally, the present invention can calculate the energy change of the interaction between the side chain and the cement matrix during the simulation process by calculating the binding energy of the modeled multifunctional side chain and the modeled cement matrix, which provides a basis for optimizing the side chain synthesis method and improving its performance in the cement matrix. Based on the distribution state and the binding energy, the present invention analyzes the performance improvement coefficient of the multifunctional side chain on the cement matrix to be improved, which can evaluate the reliability of the multifunctional side chain in improving the performance of the cement matrix to be improved. Therefore, the present invention can improve the performance optimization effect of cement-based materials. BRIEF DESCRIPTION OF THE DRAWINGS
[0080] Figure 1 A schematic flow chart of a cement-based material performance optimization method based on side chain synthesis provided in one embodiment of the present invention;
[0081] Figure 2 A functional module diagram of a cement-based material performance optimization system based on side chain synthesis provided by one embodiment of the present invention;
[0082] Figure 3 A schematic diagram of the structure of an electronic device for implementing the method for optimizing cement-based material properties based on side chain synthesis provided in one embodiment of the present invention.
[0083] The realization of the purpose, functional features and advantages of the present invention will be further explained in conjunction with embodiments and with reference to the accompanying drawings. DETAILED DESCRIPTION
[0084] It should be understood that the specific embodiments described herein are only used to explain the present invention, and are not used to limit the present invention.
[0085] The embodiment of the present application provides a method for optimizing the performance of cement-based materials based on side chain synthesis. The execution subject of the method for optimizing the performance of cement-based materials based on side chain synthesis includes but is not limited to at least one of the electronic devices such as a server and a terminal that can be configured to execute the method provided in the embodiment of the present application. In other words, the method for optimizing the performance of cement-based materials based on side chain synthesis can be executed by software or hardware installed on 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, etc.
[0086] Reference Figure 1 FIG. 1 is a flow chart of a cement-based material performance optimization method based on side chain synthesis provided by an embodiment of the present invention. In this embodiment, the cement-based material performance optimization method based on side chain synthesis includes:
[0087] S1. Obtain application scenarios of the cement matrix to be improved, analyze application losses of the cement matrix to be improved in the application scenarios, and determine performance optimization targets of the cement matrix to be improved based on the application losses.
[0088] It should be explained that the cement matrix to be improved refers to cement-based materials whose performance has not yet reached the expected or standard requirements in actual applications. The application scenario refers to the specific environment and conditions in which these cement-based materials to be improved will be used. Different application scenarios have different performance requirements for cement-based materials. For example, the application scenario can be a construction project or an infrastructure construction.
[0089] The present invention can serve as a basis for determining the optimization performance target later by analyzing the application loss of the cement matrix to be improved in the application scenario. The application loss refers to the direct and indirect losses that may be caused by insufficient performance, such as structural failure, increased maintenance costs, shortened service life, etc.
[0090] In detail, the analysis of the application loss of the cement matrix to be lifted in the application scenario includes:
[0091] Respectively identifying application scenario characteristics and cement matrix characteristics of the application scenario and the cement matrix to be lifted;
[0092] Based on the application scenario characteristics, analyzing the application requirements of the cement matrix to be improved;
[0093] Based on the characteristics of the cement matrix, determining the performance influencing factors of the cement matrix to be improved;
[0094] Analyzing 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;
[0095] 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.
[0096] Among them, the application scenario characteristics include environmental conditions, load conditions, service life, durability requirements, construction conditions and other characteristics; the cement matrix characteristics include raw material composition, microstructure, mechanical properties, durability indicators, workability and other characteristics; the application requirements include strength requirements, durability requirements, construction requirements, economic requirements and other requirements; the performance influencing factors refer to factors that affect the performance of the cement matrix to be improved, including raw material quality, mix design, construction technology, maintenance conditions, and environmental factors; the initial performance refers to the initial performance of the cement matrix to be improved in the unprocessed state, such as compressive strength, impermeability, frost resistance and other properties.
[0097] Furthermore, the analyzing 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:
[0098] Based on the performance influencing factors, the application scenario characteristics and the cement matrix characteristics, analyzing the initial performance calculation parameters of the cement matrix to be improved;
[0099] Based on the initial performance calculation parameters, the compressive strength of the cement matrix to be improved is calculated using the following formula:
[0100]
[0101] Where τ represents the compressive strength of the cement matrix to be improved, The water-cement ratio of the cement matrix to be improved corresponding to the initial performance calculation parameters, Indicates the 28-day compressive strength of the cement matrix to be improved, τ cn It represents the compressive strength of the aggregate corresponding to the cement matrix to be improved, and G represents a constant;
[0102] Based on the initial performance calculation parameters, the impermeability coefficient of the cement matrix to be improved is calculated using the following formula:
[0103]
[0104] Among them, ∈ represents the impermeability coefficient of the cement matrix to be improved, n represents the average aggregate 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;
[0105] Based on the initial performance calculation parameters, the stress intensity factor of the cement matrix to be improved is calculated using the following formula:
[0106]
[0107] Among them, ρ represents the stress intensity factor of the cement matrix to be improved, 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 circumference, and h(t) represents the stress at the crack tip corresponding to the initial performance calculation parameter;
[0108] 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.
[0109] Among them, the initial performance calculation parameters are used to describe the basic values of cement matrix performance during the calculation process. They may include water-cement ratio, aggregate particle size distribution, cement type and strength grade, curing conditions, etc. The compressive strength refers to the ability of the cement matrix to withstand vertical pressure damage under unconfined conditions. The water-cement ratio refers to the mass ratio of cement to water. The 28-day compressive strength concrete is the compressive strength after 28 days of curing. The compressive strength of aggregate refers to the compressive strength of aggregates (such as sand, stone, etc.) in concrete. The constant refers to a constant used to correct or standardize the results. The impermeability coefficient refers to an indicator for measuring the impermeability performance of the cement matrix. The lower the impermeability coefficient, the better the impermeability performance of the cement matrix. The average aggregate particle size 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 ratio of the mass of the fluid to the volume, the dynamic viscosity refers to the ability of the 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 a factor used to describe the geometric shape of the crack in the calculation of the stress intensity factor, the stress refers to the stress acting on the cement matrix to be lifted, the crack length refers to the length of the crack in the cement matrix to be lifted, and the crack tip stress refers to the stress value generated at the crack tip due to stress concentration.
[0110] Furthermore, based on the application requirements and the initial performance, the application loss of the cement matrix to be upgraded in the application scenario can be evaluated by Life Cycle Cost Analysis.
[0111] Optionally, the present invention determines the performance optimization target of the cement matrix to be improved based on the application loss, which helps to improve the performance of the cement matrix and meet the requirements of the application scenario. Wherein, the performance optimization target refers to the target of optimizing the performance of the cement matrix to be improved.
[0112] In detail, the step of determining the performance optimization target of the cement matrix to be improved based on the application loss includes:
[0113] Analyzing application loss characteristics of the application loss;
[0114] Based on the application loss characteristics, determining the scenario impact of the application loss on the application scenario corresponding to the cement matrix to be lifted;
[0115] Based on the application loss and the scenario impact, analyzing the key performance to be improved of the cement matrix to be improved, and identifying the loss weight of the key performance to be improved in the application loss;
[0116] Based on the loss weight, calculating the performance priority and performance improvement index of the key performance to be improved;
[0117] Based on the performance priority and the performance improvement index, a performance optimization target of the cement matrix to be improved is determined.
[0118] Among them, the application loss characteristics refer to the specific characteristics that describe the application loss, such as the type, degree, distribution, etc. of the loss; the scenario impact refers to the analysis of the specific impact of the application loss on the application scenario, including the impact on structural safety, functional performance, economic cost, etc.; the key performance to be improved refers to the key performance indicators that have the greatest impact on performance identified 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; and the performance improvement indicator refers to a specific performance improvement target, such as increasing the compressive strength by 20%, reducing the permeability by 50%, and other indicators.
[0119] Furthermore, in calculating the performance priority and performance improvement index of the key performance to be improved based on the loss weight, the performance priority can be arranged according to the weight.
[0120] S2. Based on the performance optimization target, 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 chain molecular structure.
[0121] Based on the performance optimization goal, the present invention analyzes the chemical functional groups of the cement matrix to be improved as the basis for the later construction of side chains. It should be explained that the chemical functional groups refer to atoms or atomic groups with specific chemical properties in the molecule. In cement-based materials, chemical functional groups can affect the performance of cement-based materials by interacting with the surface of cement particles or hydration products. In detail, the chemical functional groups can be selected by consulting the literature to understand the application and effect of existing chemical functional groups in cement-based materials.
[0122] Optionally, the present invention constructs 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 to ensure that the functional groups can be effectively connected to the main chain, and the branched molecular structure is designed to ensure that they can extend from the main chain, which will help improve the performance of cement-based materials and meet the requirements of application scenarios. 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 molecular structure refers to the structure extending from the main chain molecular structure.
[0123] In detail, the side chain molecular structure of the cement matrix to be improved is constructed based on the chemical functional groups, including:
[0124] Selecting the backbone material of the cement matrix to be improved;
[0125] Based on the chemical functional groups, determining the main chain molecular weight of the cement matrix to be improved;
[0126] Analyze the effective linking mode of the main chain of the chemical functional groups;
[0127] Based on the main chain material, the main chain molecular weight and the effective linking mode of the main chain, construct the main chain molecular structure of the cement matrix to be improved;
[0128] Based on the key properties to be improved corresponding to the cement matrix to be improved, determining the number and length of the branches of the main chain molecular structure;
[0129] Determining the branched molecular structure of the cement matrix to be improved based on the number of branches and the length of the branches;
[0130] The main chain molecular structure and the branch chain molecular structure are linked to obtain the side chain molecular structure of the cement matrix to be improved.
[0131] Among them, the main chain material refers to the main part that constitutes the molecular structure of the side chain, which determines the molecular weight, flexibility and reactivity of the side chain, such as polymers, organic macromolecules and other materials; the main chain molecular weight refers to the average mass of the 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 method refers to the method of effectively connecting the chemical functional groups to the main chain, such as chemical covalent bonding, ionic bonding, hydrogen bonding, van der Waals force, etc.; the number of branches refers to the number of branches connected to the main chain, which affects the performance and modification effect of the side chain; the branch length refers to the length of the branch extending from the main chain, which affects the performance and modification effect of the side chain.
[0132] Furthermore, the linking of the main chain molecular structure and the branch chain molecular structure can be achieved by chemical synthesis, physical adsorption, etc.
[0133] S3. Based on the side chain molecular structure and the chemical functional groups, the multifunctional side chains of the cement matrix to be improved are synthesized.
[0134] Based on the side chain molecular structure and the chemical functional group, the present invention synthesizes the multifunctional side chain of the cement matrix to be improved to synthesize a multifunctional side chain with the required performance, and applies it to cement-based materials to achieve performance optimization. Among them, the multifunctional side chain refers to a side chain molecular structure obtained by synthesis or modification, which can have multiple functions at the same time, thereby playing multiple roles in the material.
[0135] In detail, the multifunctional side chain of the cement matrix to be improved is synthesized based on the side chain molecular structure and the chemical functional group, including:
[0136] Determining the side chain molecular structure and the synthesis method of the chemical functional group;
[0137] Based on the synthesis method, analyzing the side chain molecular structure and the synthetic raw materials of the chemical functional groups;
[0138] Based on the synthesis method and the synthesis raw materials, construct the synthesis route of the side chain molecular structure and the chemical functional group;
[0139] 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;
[0140] Characterizing and analyzing the side chains of the synthetic multifunctional side chains to obtain side chain characterization results;
[0141] 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.
[0142] Among them, 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 synthetic raw material refers to the chemical substance used to synthesize the multifunctional side chain, such as the main chain material, functional group precursor, solvent, catalyst and other materials; the synthetic route refers to the steps and sequence of converting the synthetic raw material into the synthetic multifunctional side chain, such as mixing the main chain material and the functional group precursor, adding a catalyst, and heating the reaction to obtain the synthetic multifunctional side chain; the synthetic multifunctional side chain is the side chain molecular structure obtained by the synthetic route; the side chain characterization refers to a series of analytical tests performed on the synthetic multifunctional side chain to obtain the characterization results, including structure confirmation, molecular weight distribution, thermal stability calculation, mechanical property analysis and other analyses.
[0143] Furthermore, the side chain characterization analysis of the synthetic multifunctional side chain to obtain the side chain characterization result can be achieved by nuclear magnetic resonance, infrared spectroscopy, mass spectrometry, thermal analysis and other technologies.
[0144] S4. Perform three-dimensional modeling on the multifunctional side chains and the cement matrix to be improved respectively to obtain modeled multifunctional side chains and modeled cement matrix, and analyze the distribution state of the modeled multifunctional side chains in the modeled cement matrix.
[0145] The multifunctional side chains and the cement matrix to be improved are respectively subjected to three-dimensional modeling, and the modeled multifunctional side chains and the modeled cement matrix can be simulated by the model to improve the performance of the cement matrix. The modeled multifunctional side chains and the modeled cement matrix refer to the multifunctional side chains and the cement matrix constructed by three-dimensional modeling technology.
[0146] In detail, the modeling multifunctional side chain can use 3D modeling software, such as Chem3D, ChemDraw, Materials Studio and other software, to import the chemical structure of the synthetic multifunctional side chain, and perform 3D modeling according to its molecular structure. The modeling cement matrix AutoCAD, SolidWorks, Revit and the like perform 3D modeling according to the actual size and shape of the cement matrix. The modeling process considers the microstructure and macroscopic morphology of the cement matrix, such as porosity, pore size distribution, mechanical properties and other structures, and sets appropriate material properties, such as density, elastic modulus, Poisson's ratio and other properties.
[0147] The present invention provides a basis for optimizing the side chain synthesis method and improving its performance in the cement matrix by analyzing the distribution state of the modeling multifunctional side chain in the modeling cement matrix, 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 modeled multifunctional side chains in the modeled cement matrix includes:
[0149] determining position parameters of the modeled multifunctional side chains and the modeled cementitious matrix;
[0150] Based on the position parameters, a molecular motion simulation system of the modeled multifunctional side chain and the modeled cement matrix is created;
[0151] configuring simulation parameters of the molecular motion simulation system;
[0152] simulating the diffusion behavior of the modeled multifunctional side chain based on the simulation parameters;
[0153] Based on the diffusion behavior, the distribution state of the modeled multifunctional side chains in the modeled cement matrix was analyzed.
[0154] Among them, the position parameters refer to a set of parameters used to describe the interaction between atoms in molecular dynamics simulation, which include parameters such as atomic type, atomic charge, atomic radius, bond length, bond angle, dihedral angle, etc. The molecular motion simulation system refers to a simulation environment constructed on a computer, which is a system for simulating the movement of molecules in a physical and chemical environment. The simulation parameters refer to the parameters set when performing molecular dynamics simulation, including parameters such as temperature, pressure, and time step. The diffusion behavior refers to the change and movement of molecules in the simulation system over time. The diffusion behavior can reflect the movement mode and rate of molecules in the simulation environment.
[0155] Furthermore, the molecular motion simulation system for creating the modeled multifunctional side chains and the modeled 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 chains in the modeling cement matrix based on the diffusion behavior includes:
[0157] Analyzing the diffusion behavior in the diffusion path of the modeled cement matrix;
[0158] The diffusion coefficient of the diffusion behavior in the modeled cement matrix was calculated using the following formula:
[0159]
[0160] Where A represents the diffusion coefficient of the cement matrix in the modeling diffusion behavior, A0 represents the pre-diffusion coefficient, Y s represents the energy required to achieve the maximum diffusion rate under actual conditions to simulate diffusion behavior, exp represents the exponential function, and u Crepresents the Boltzmann constant, H represents the temperature corresponding to the diffusion behavior;
[0161] Based on the diffusion path and the diffusion coefficient, the distribution state of the modeled multifunctional side chains in the modeled cement matrix is analyzed.
[0162] Among them, the diffusion path refers to the movement trajectory 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 refers to a temperature-independent constant, which reflects the maximum diffusion rate that the molecule can achieve under resistance-free conditions, and the Boltzmann constant is a physical constant that represents the ratio of unit molar thermal energy to Kelvin temperature. Its value is approximately 1.380649×10^-23J / K, which is used to convert energy into thermodynamic temperature. The temperature corresponding to the diffusion behavior refers to the average kinetic energy of the diffusion behavior molecules, which is a very important parameter in molecular dynamics simulation.
[0163] S5. Calculate the binding energy between the modeled multifunctional side chain and the modeled cement matrix, analyze the performance improvement coefficient of the multifunctional side chain on the cement matrix to be improved based on the distribution state and the binding energy, and when the performance improvement coefficient meets a preset performance improvement threshold, use the multifunctional side chain to improve the performance of the cement matrix to be improved.
[0164] The present invention can calculate the energy change of the interaction between the side chain and the cement matrix during the simulation process by calculating the binding energy of the modeled multifunctional side chain and the modeled cement matrix, providing a basis for optimizing the side chain synthesis method 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 between the modeled multifunctional side chain and the modeled cement matrix comprises:
[0166] identifying the interaction behavior of the modeled multifunctional side chains and the modeled cement matrix;
[0167] calculating the interaction energy of the interaction behavior, and recording the energy sequence combination of the interaction energy;
[0168] Based on the preset initial energy and the energy sequence combination, constructing an energy conversion curve of the interaction behavior;
[0169] Based on the energy conversion curve, the binding energy between the modeled multifunctional side chain and the modeled cement matrix is calculated using the following formula:
[0170]
[0171] Where M represents the binding energy between the modeled multifunctional side chain and the modeled cement matrix, ΔZ i represents the energy conversion value of the i-th time node of the energy conversion curve, and F represents the number of time nodes corresponding to the energy conversion curve.
[0172] Among them, the interaction behavior refers to the interaction process between the multifunctional side chain and the cement matrix in the molecular dynamics simulation, and these interactions may include the formation, breaking, hydrogen bonding, van der Waals forces, etc. of chemical bonds; the interaction energy refers to the energy of the interaction between the multifunctional side chain and the cement matrix in the molecular dynamics simulation; the preset initial energy refers to the initial energy of the interaction 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 changes in the interaction energy between the multifunctional side chain and the cement matrix over time during the simulation; the energy transformation curve refers to the curve of changes in the interaction energy between the multifunctional side chain and the cement matrix over time during the simulation; and the energy transformation value refers to the difference in energy between adjacent time points.
[0173] Optionally, the present invention can evaluate the reliability of the multifunctional side chain in improving the performance of the cement matrix to be improved by analyzing the performance improvement coefficient of the multifunctional side chain on the cement matrix to be improved based on the distribution state and the binding energy. Wherein, the performance improvement coefficient refers to the degree of improvement of the performance of the cement matrix to be improved by the functional side chain.
[0174] In detail, the performance improvement coefficient can be analyzed by analyzing the uniformity of the distribution state and the degree of energy conversion of the binding energy. For example, according to a preset uniformity threshold, the distribution state is set to be uneven distribution, relatively uniform distribution and uniform distribution, and according to the binding energy conversion threshold, the binding energy is set to be low binding energy, medium binding energy and high binding energy. Among them, the performance improvement coefficients of the distribution states of uneven distribution, relatively uniform distribution and uniform distribution are divided into 0.1, 0.3 and 0.5, and the binding energy performance improvement coefficients of low binding energy, medium binding energy and high binding energy are divided into 0.1, 0.3 and 0.5. When the distribution state is relatively uniform distribution and the binding energy is low binding energy, the performance improvement coefficient is 0.3+0.1, which is equal to 0.4. The higher the performance improvement coefficient, the higher the performance improvement strength of the multifunctional side chain on the cement matrix to be improved. The performance improvement threshold refers to a 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 present invention solves the problems described in the background technology. The present invention analyzes the application loss of the cement matrix to be improved in the application scenario, which can be used as a basis for later determination of the optimization performance target; optionally, the present invention determines the performance optimization target of the cement matrix to be improved based on the application loss, which helps to improve the performance of the cement matrix and meet the requirements of the application scenario; based on the performance optimization target, the present invention analyzes the chemical functional groups of the cement matrix to be improved, which can be used as a basis for later construction of side chains; based on the molecular structure of the side chain and the chemical functional groups, the present invention synthesizes the multifunctional side chains of the cement matrix to be improved, which can synthesize multifunctional side chains with required properties and apply them to water In mud-based materials, in order to achieve performance optimization, the present invention provides a basis for optimizing the side chain synthesis method and improving its performance in the cement matrix by analyzing the distribution state of the modeled multifunctional side chain in the modeled cement matrix. Finally, the present invention can calculate the energy change of the interaction between the side chain and the cement matrix during the simulation process by calculating the binding energy of the modeled multifunctional side chain and the modeled cement matrix, which provides a basis for optimizing the side chain synthesis method and improving its performance in the cement matrix. Based on the distribution state and the binding energy, the present invention analyzes the performance improvement coefficient of the multifunctional side chain on the cement matrix to be improved, and can evaluate the reliability of the multifunctional side chain to improve the performance of the cement matrix to be improved. Therefore, the present invention can improve the performance optimization effect of cement-based materials.
[0176] like Figure 2 , which is a functional module diagram of a cement-based material performance optimization system based on side chain synthesis provided by one embodiment of the present invention.
[0177] The cement-based material performance optimization system 100 based on side chain synthesis of the present invention can be installed in an electronic device. According to the functions to be implemented, the cement-based material performance optimization system 100 based on side chain synthesis 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 module of the present invention can also be referred to as a unit, which refers to a series of computer program segments that can be executed by an electronic device processor and can complete fixed functions, which are stored in the memory of the electronic device.
[0178] The performance optimization target determination module 101 is used to obtain the application scenario of the cement matrix to be improved, analyze the application loss of the cement matrix to be improved in the application scenario, and determine the performance optimization target of the cement matrix to be improved based on the application loss;
[0179] The side chain molecular structure design module 102 is used to analyze the chemical functional groups of the cement matrix to be improved based on the performance optimization target, and 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 chain molecular structure;
[0180] The multifunctional side chain synthesis module 103 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 group;
[0181] The distribution state analysis module 104 is used to perform three-dimensional modeling on the multifunctional side chains and the cement matrix to be improved, respectively, to obtain modeled multifunctional side chains and modeled cement matrix, and to analyze the distribution state of the modeled multifunctional side chains in the modeled cement matrix;
[0182] The side chain performance improvement module 105 is used to calculate the binding energy between the modeled multifunctional side chain and the modeled cement matrix, and analyze the performance improvement coefficient of the multifunctional side chain on the cement matrix to be improved based on the distribution state and the binding energy. When the performance improvement coefficient meets the preset performance improvement threshold, the multifunctional side chain is used to perform performance improvement of the cement matrix to be improved.
[0183] In detail, each module in the cement-based material performance optimization system 100 based on side chain synthesis in the embodiment of the present invention is used in the same manner as described above. Figure 1 The same technical means as the cement-based material performance optimization method based on side chain synthesis described in the invention can produce the same technical effects, so they will not be repeated here.
[0184] like Figure 3 , which is a schematic diagram of the structure of an electronic device for implementing a cement-based material performance optimization method based on side chain synthesis provided by one embodiment of the present invention.
[0185] The electronic device 1 may include a processor 10, a memory 11 and a bus 12, and may also include 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] Wherein, the memory 11 includes at least one type of readable storage medium, and the readable storage medium includes flash memory, mobile hard disk, multimedia card, card-type memory (for example: SD or DX memory, etc.), magnetic memory, disk, optical disk, etc. The memory 11 may be an internal storage unit of the electronic device 1 in some embodiments, such as a mobile hard disk of the electronic device 1. The memory 11 may also be an external storage device of the electronic device 1 in other embodiments, such as a plug-in mobile hard disk, a smart memory card (Smart Media Card, SMC), a secure digital (SecureDigital, SD) card, a flash card (Flash Card), etc. equipped on the electronic device 1. Further, the memory 11 also includes an internal storage unit of the electronic device 1 and an external storage device. The memory 11 can not only be used to store application software and various types of data installed in the electronic device 1, such as the code of the cement-based material performance optimization method program based on side chain synthesis, but also can be used to temporarily store data that has been output or is to be output.
[0187] The processor 10 may be composed of an integrated circuit in some embodiments, for example, a single packaged integrated circuit, or a plurality of packaged integrated circuits with the same or different functions, including one or more central processing units (CPUs), microprocessors, digital processing chips, graphics processors, and combinations of various control chips, etc. The processor 10 is the control core (Control Unit) of the electronic device, and uses various interfaces and lines to connect various components of the entire electronic device, and executes or executes programs or modules stored in the memory 11 (such as a cement-based material performance optimization method program based on side chain synthesis, etc.), and calls data stored in the memory 11 to execute various functions of the electronic device 1 and process data.
[0188] The bus 12 may be a peripheral component interconnect (PCI) bus or an extended industry standard architecture (EISA) bus, etc. The bus 12 may be divided into an address bus, a data bus, a control bus, etc. The bus 12 is configured to realize connection and communication between the memory 11 and at least one processor 10, etc.
[0189] Figure 3 Only an electronic device with components is shown, and those skilled in the art will understand that Figure 3The structure shown does not constitute a limitation on the electronic device 1, and may include fewer or more components than shown in the figure, or combine certain components, or arrange the components differently.
[0190] For example, although not shown, the electronic device 1 may also include a power source (such as a battery) for supplying power to each component. Preferably, the power source may be logically connected to the at least one processor 10 through a power management device, so that the power management device can realize functions such as charging management, discharging management, and power consumption management. The power source may also include any components such as one or more DC or AC power sources, recharging devices, power failure detection circuits, power converters or inverters, power status indicators, etc. The electronic device 1 may also include a variety of sensors, Bluetooth modules, Wi-Fi modules, etc., which will not be repeated here.
[0191] Furthermore, the electronic device 1 may also include a network interface. Optionally, the network interface may include a wired interface and / or a wireless interface (such as a WI-FI interface, a Bluetooth interface, etc.), which is generally used to establish a communication connection between the electronic device 1 and other electronic devices.
[0192] Optionally, the electronic device 1 may further include a user interface, which may be a display, an input unit (such as a keyboard), or a standard wired interface or a wireless interface. Optionally, in some embodiments, the display may be an LED display, a liquid crystal display, a touch-sensitive liquid crystal display, and an OLED (Organic Light-Emitting Diode) touch device. The display may also be appropriately referred to as a display screen or a display unit, which is used to display information processed in the electronic device 1 and to display a visual user interface.
[0193] It should be understood that the embodiment is for illustration only and the scope of the patent application is not limited to this structure.
[0194] The cement-based material performance optimization method program based on side chain synthesis stored in the memory 11 of the electronic device 1 is a combination of multiple instructions. When running in the processor 10, it can achieve:
[0195] Acquire an application scenario of the cement matrix to be improved, analyze the application loss of the cement matrix to be improved in the application scenario, and determine a performance optimization target of the cement matrix to be improved based on the application loss;
[0196] Based on the performance optimization target, analyzing the chemical functional groups of the cement matrix to be improved, and constructing 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 chain molecular structure;
[0197] Based on the side chain molecular structure and the chemical functional group, synthesizing the multifunctional side chain of the cement matrix to be improved;
[0198] Performing three-dimensional modeling on the multifunctional side chains and the cement matrix to be improved respectively to obtain modeled multifunctional side chains and modeled cement matrix, and analyzing the distribution state of the modeled multifunctional side chains in the modeled cement matrix;
[0199] The binding energy between the modeled multifunctional side chain and the modeled cement matrix is calculated, and 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 is analyzed; when the performance improvement coefficient meets a preset performance improvement threshold, the multifunctional side chain is used to improve the performance of the cement matrix to be improved.
[0200] Specifically, the specific implementation method of the processor 10 for the above instructions can refer to Figures 1 to 3 The description of the relevant steps in the corresponding embodiments will not be repeated here.
[0201] Furthermore, if the module / unit integrated in the electronic device 1 is implemented in the form of a software functional unit and sold or used as an independent product, it can be stored in a computer-readable storage medium. 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, a recording medium, a USB flash drive, a mobile hard disk, a magnetic disk, an optical disk, a computer memory, and a read-only memory (ROM).
[0202] The present invention further provides a computer-readable storage medium, wherein the computer-readable storage medium stores a computer program, and when the computer program is executed by a processor of an electronic device, the computer program can implement:
[0203] Acquire an application scenario of the cement matrix to be improved, analyze the application loss of the cement matrix to be improved in the application scenario, and determine a performance optimization target of the cement matrix to be improved based on the application loss;
[0204] Based on the performance optimization target, analyzing the chemical functional groups of the cement matrix to be improved, and constructing 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 chain molecular structure;
[0205] Based on the side chain molecular structure and the chemical functional group, synthesizing the multifunctional side chain of the cement matrix to be improved;
[0206] Performing three-dimensional modeling on the multifunctional side chains and the cement matrix to be improved respectively to obtain modeled multifunctional side chains and modeled cement matrix, and analyzing the distribution state of the modeled multifunctional side chains in the modeled cement matrix;
[0207] The binding energy between the modeled multifunctional side chain and the modeled cement matrix is calculated, and 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 is analyzed; when the performance improvement coefficient meets a preset performance improvement threshold, the multifunctional side chain is used to improve the performance of the cement matrix to be improved.
[0208] In the several embodiments provided by the present invention, it should be understood that the disclosed devices, systems and methods can be implemented in other ways. For example, the system embodiments described above are only illustrative, and actual implementation may have other division methods.
[0209] The modules described as separate components may or may not be physically separated, and the components shown as modules may or may not be physical units, that is, they may be located in one place or distributed on multiple network units. Some or all of the modules may be selected according to actual needs to achieve the purpose of the solution of this embodiment.
[0210] In addition, each functional module in each embodiment of the present invention may be integrated into one processing unit, each unit may exist physically separately, or two or more units may be integrated into one unit. The above-mentioned integrated unit may be implemented in the form of hardware or in the form of hardware plus software functional modules.
[0211] It is obvious to those skilled in the art that the present invention is not limited to the details of the above exemplary embodiments, and that the present invention can be implemented in other specific forms without departing from the spirit or essential characteristics of the present invention.
[0212] In addition, it is clear that the word "comprising" does not exclude other units or steps, and the singular does not exclude the plural. Multiple units or devices stated in the system claim can also be implemented by one unit or device through software or hardware. The second and other words are used to indicate names, but not to indicate any particular order.
[0213] Finally, it should be noted that the above embodiments are only used to illustrate the technical solution of the present invention rather than to limit it. Although the present invention has been described in detail with reference to the preferred embodiments, those skilled in the art should understand that the technical solution of the present invention can be modified or replaced by equivalents without departing from the spirit and scope of the technical solution of the present invention.
Claims
1. A method for optimizing cement-based material performance based on side chain synthesis, characterized in that: The method comprises: Acquire an application scenario of the cement matrix to be improved, analyze the application loss of the cement matrix to be improved in the application scenario, and determine a performance optimization target of the cement matrix to be improved based on the application loss; Based on the performance optimization target, analyzing the chemical functional groups of the cement matrix to be improved, and constructing 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 chain molecular structure; Based on the side chain molecular structure and the chemical functional group, synthesizing the multifunctional side chain of the cement matrix to be improved; Performing three-dimensional modeling on the multifunctional side chains and the cement matrix to be improved respectively to obtain modeled multifunctional side chains and modeled cement matrix, and analyzing the distribution state of the modeled multifunctional side chains in the modeled cement matrix; The binding energy between the modeled multifunctional side chain and the modeled cement matrix is calculated, and 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 is analyzed; when the performance improvement coefficient meets a preset performance improvement threshold, the multifunctional side chain is used to improve the performance of the cement matrix to be improved.
2. The method for optimizing cement-based material performance based on side chain synthesis according to claim 1, characterized in that: The analyzing the application loss of the cement matrix to be lifted in the application scenario includes: Respectively identifying application scenario characteristics and cement matrix characteristics of the application scenario and the cement matrix to be lifted; Based on the application scenario characteristics, analyzing the application requirements of the cement matrix to be improved; Based on the characteristics of the cement matrix, determining the performance influencing factors of the cement matrix to be improved; Analyzing 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; 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.
3. The method for optimizing cement-based material performance based on side chain synthesis according to claim 2, characterized in that: The analyzing 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: Based on the performance influencing factors, the application scenario characteristics and the cement matrix characteristics, analyzing the initial performance calculation parameters of the cement matrix to be improved; Based on the initial performance calculation parameters, the compressive strength of the cement matrix to be improved is calculated using the following formula: Where τ represents the compressive strength of the cement matrix to be improved, The water-cement ratio of the cement matrix to be improved corresponding to the initial performance calculation parameters, Indicates the 28-day compressive strength of the cement matrix to be improved, τ cn It represents the compressive strength of the aggregate corresponding to the cement matrix to be improved, and G 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: Among them, ∈ represents the impermeability coefficient of the cement matrix to be improved, n represents the average aggregate 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; Based on the initial performance calculation parameters, the stress intensity factor of the cement matrix to be improved is calculated using the following formula: Among them, ρ represents the stress intensity factor of the cement matrix to be improved, 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 circumference, and h(t) represents the stress at the crack tip corresponding to the initial performance calculation parameter; 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.
4. The method for optimizing cement-based material performance based on side chain synthesis according to claim 3, characterized in that: Determining the performance optimization target of the cement matrix to be improved based on the application loss includes: Analyzing application loss characteristics of the application loss; Based on the application loss characteristics, determining the scenario impact of the application loss on the application scenario corresponding to the cement matrix to be lifted; Based on the application loss and the scenario impact, analyzing the key performance to be improved of the cement matrix to be improved, and identifying the loss weight of the key performance to be improved in the application loss; Based on the loss weight, calculating the performance priority and performance improvement index of the key performance to be improved; Based on the performance priority and the performance improvement index, a performance optimization target of the cement matrix to be improved is determined.
5. The method for optimizing cement-based material performance based on side chain synthesis according to claim 4, characterized in that: The step of constructing the side chain molecular structure of the cement matrix to be improved based on the chemical functional groups comprises: Selecting the backbone material of the cement matrix to be improved; Based on the chemical functional groups, determining the main chain molecular weight of the cement matrix to be improved; Analyze the effective linking mode of the main chain of the chemical functional groups; Based on the main chain material, the main chain molecular weight and the effective linking mode of the main chain, construct the main chain molecular structure of the cement matrix to be improved; Based on the key properties to be improved corresponding to the cement matrix to be improved, determining the number and length of the branches of the main chain molecular structure; Determining the branched molecular structure of the cement matrix to be improved based on the number of branches and the length of the branches; The main chain molecular structure and the branch chain molecular structure are linked to obtain the side chain molecular structure of the cement matrix to be improved.
6. The method for optimizing cement-based material performance based on side chain synthesis according to claim 5, characterized in that: The method of synthesizing the multifunctional side chain of the cement matrix to be improved based on the side chain molecular structure and the chemical functional group comprises: Determining the side chain molecular structure and the synthesis method of the chemical functional group; Based on the synthesis method, analyzing the side chain molecular structure and the synthetic raw materials of the chemical functional groups; Based on the synthesis method and the synthesis raw materials, construct the synthesis route of the side chain molecular structure and the chemical functional group; 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; Characterizing and analyzing the side chains of the synthetic multifunctional side chains to obtain 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.
7. The method for optimizing cement-based material performance based on side chain synthesis according to claim 6, characterized in that: The analyzing the distribution state of the modeled multifunctional side chains in the modeled cement matrix comprises: determining position parameters of the modeled multifunctional side chains and the modeled cementitious matrix; Based on the position parameters, a molecular motion simulation system of the modeled multifunctional side chain and the modeled cement matrix is created; configuring simulation parameters of the molecular motion simulation system; simulating the diffusion behavior of the modeled multifunctional side chain based on the simulation parameters; Based on the diffusion behavior, the distribution state of the modeled multifunctional side chains in the modeled cement matrix was analyzed.
8. The method for optimizing cement-based material performance based on side chain synthesis according to claim 7, characterized in that: The analyzing the distribution state of the modeled multifunctional side chains in the modeled cement matrix based on the diffusion behavior comprises: Analyzing the diffusion behavior in the diffusion path of the modeled cement matrix; The diffusion coefficient of the diffusion behavior in the modeled cement matrix was calculated using the following formula: Where A represents the diffusion coefficient of the cement matrix in the modeling diffusion behavior, A0 represents the pre-diffusion coefficient, Y s represents the energy required to achieve the maximum diffusion rate under actual conditions to simulate diffusion behavior, exp represents the exponential function, and u C represents the Boltzmann constant, H represents the temperature corresponding to the diffusion behavior; Based on the diffusion path and the diffusion coefficient, the distribution state of the modeled multifunctional side chains in the modeled cement matrix is analyzed.
9. The method for optimizing cement-based material performance based on side chain synthesis according to claim 8, characterized in that: The calculating the binding energy between the modeled multifunctional side chain and the modeled cement matrix comprises: identifying the interaction behavior of the modeled multifunctional side chains and the modeled cement matrix; calculating the interaction energy of the interaction behavior, and recording the energy sequence combination of the interaction energy; Based on the preset initial energy and the energy sequence combination, constructing an energy conversion curve of the interaction behavior; Based on the energy conversion curve, the binding energy between the modeled multifunctional side chain and the modeled cement matrix is calculated using the following formula: Where M represents the binding energy between the modeled multifunctional side chain and the modeled cement matrix, ΔZ i represents the energy conversion value of the i-th time node of the energy conversion curve, and F represents the number of time nodes corresponding to the energy conversion curve.
10. A cement-based material performance optimization system based on side chain synthesis, characterized in that: The system comprises: A performance optimization target determination module is used to obtain an application scenario of the cement matrix to be improved, analyze the application loss of the cement matrix to be improved in the application scenario, and determine the performance optimization target of the cement matrix to be improved based on the application loss; A side chain molecular structure design module, used to analyze the chemical functional groups of the cement matrix to be improved based on the performance optimization target, and 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 chain molecular structure; A multifunctional side chain synthesis module, 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 group; A distribution state analysis module is used to perform three-dimensional modeling on the multifunctional side chains and the cement matrix to be improved, respectively, to obtain modeled multifunctional side chains and modeled cement matrix, and to analyze the distribution state of the modeled multifunctional side chains in the modeled cement matrix; The side chain performance improvement module is used to calculate the binding energy between the modeled multifunctional side chain and the modeled cement matrix, and 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. When the performance improvement coefficient meets the preset performance improvement threshold, the multifunctional side chain is used to perform the performance improvement of the cement matrix to be improved.
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