Chemical formula optimization system of flame-retardant polymer sheath material

Abstract

The invention relates to the technical field of material science, in particular to a chemical formula optimization system of a flame-retardant polymer sheath material, which comprises a bionic chemical simulation module, a flame-retardant path screening module, a chemical substance synthesis module and a performance test module. According to the invention, through collection and analysis of biomimetic chemical data, a protection mechanism of organisms in nature to high temperature is converted into specific chemical fireproof characteristics, and a direct relation between biological characteristics and flame-retardant effects is determined by means of correlation analysis, so that development of the flame retardant is no longer single chemical experiment speculation; compared with the prior art, the method has a clear biological basis, the performance and the stability of the synthesized flame retardant are comprehensively verified by accurately recording and analyzing parameters in the chemical synthesis process, the method has a remarkable effect on improving the product quality and the reliability, the repeatability of an experiment is improved, the flame retardant property of the whole material is optimized, and the method is suitable for industrial production. And a solid foundation is laid for commercial application and large-scale production of future materials.

Description

Technical Field

[0001] The invention relates to the technical field of material science, and in particular to a chemical formula optimization system for a flame retardant polymer sheath material. Background Art

[0002] The field of materials science and technology covers a wide range of research areas and applied practices, involving the properties, processing, design and practical applications of various substances. This field explores how to create new materials through atomic and molecular level regulation, while improving and optimizing the performance and function of existing materials. The core content of materials science includes the study of metals, ceramics, polymers and composites. Through a deep understanding of the relationship between the microstructure and macroscopic properties of materials, materials scientists can develop high-performance materials that meet specific needs.

[0003] Among them, the chemical formula optimization system for flame-retardant polymer sheath materials refers to a set of technical solutions for improving the flame retardant effect of polymer sheath materials. The system optimizes the proportion and dispersibility of flame retardant additives in the polymer matrix to improve the overall flame retardant performance of the material. Technical matters mainly involve the selection of suitable flame retardant compounds, such as aluminum hydroxide or bromide, and the study of compatibility and stability in the polymer matrix, and also include adjusting the ratio of auxiliary additives such as plasticizers and stabilizers to ensure that the processability and physical properties of the material are not affected.

[0004] Existing technologies are insufficient in improving the flame retardant properties of materials, especially in the development of flame retardants, which lack innovative thinking from a biological perspective. In existing methods, the development of flame retardants mostly relies on chemical experiments and empirical inferences, rather than on systematic research on biological protection properties. This results in insufficient performance of flame retardant materials in dealing with extreme conditions, making it difficult to meet higher standards of safety requirements. The trial and error method commonly used in the development of traditional flame retardant materials is not only time-consuming, but also inefficient, increasing research and development costs and limiting further optimization of material properties. This research and development model that lacks efficiency and precision may lead to unstable flame retardant properties in actual applications, affecting product quality and safety. Summary of the invention

[0005] The purpose of the present invention is to solve the shortcomings in the prior art and to propose a chemical formula optimization system for a flame retardant polymer sheath material.

[0006] In order to achieve the above object, the present invention adopts the following technical scheme: a chemical formula optimization system for flame retardant polymer sheath material comprises:

[0007] The bionic chemical simulation module collects biological data of the target organism's reaction to flames, including the protective reaction characteristics of leaves to differential temperatures, compares and analyzes the biological data with the chemical fire protection mechanism, obtains the bionic chemical data set, performs correlation analysis, analyzes the correlation between biological characteristics and fire protection performance, and obtains chemical reaction indicators;

[0008] The flame retardant path screening module uses the chemical reaction index to simulate the estimated chemical reaction, analyze the chemical path, refer to the feasibility and cost-effectiveness under experimental conditions, quantitatively analyze the number of reactants in the path and the required reaction condition switching, compare the data of the experimental product yield of each path, and combine the deviation between the real-time measurement value and the theoretical value to screen the path that prioritizes experimental operability and cost-effectiveness to obtain the optimized flame retardant chemical path;

[0009] The chemical substance synthesis module performs chemical formula synthesis of the flame retardant polymer sheath material in a laboratory environment according to the optimized flame retardant chemical pathway, records multiple parameters in the synthesis process of the flame retardant polymer sheath material, obtains a chemical formula synthesis record, performs structure and performance analysis on the synthesized chemical substances, verifies the flame retardant effect and stability, and obtains characteristic data of the synthetic flame retardant;

[0010] The performance testing module uses the synthetic flame retardant characteristic data to perform flame retardant performance tests on polymer sheath materials in the laboratory, records the fire performance of polymer sheath materials under differentiated conditions, obtains fire performance test results, adjusts the formulation and processing of chemical substances, and obtains an optimized sheath material formulation.

[0011] As a further solution of the present invention, the steps of acquiring the bionic chemical data set are specifically as follows:

[0012] Collect biological data on the target organism's response to flame, select target organisms, monitor and record biological responses under differentiated temperature conditions, record biological changes and defensive behaviors of skin and leaves after flame exposure, and obtain initial biological response data;

[0013] screening and processing the initialized biological response data, excluding nonspecific data caused by environmental variables or test errors, recording the fire resistance characteristics of the target organism, and obtaining processed biological data;

[0014] Using the processed biological data, key fire-resistant chemical features were identified and extracted using the formula:

[0015]

[0016] Calculate the fire resistance strength values ​​of the data points and build a biomimetic chemical data set by combining biological characteristics;

[0017] Among them, R bio Represents the fire resistance rating of an organism, A i represents the fire activity index of data point i, T i is the corresponding temperature intensity, and n is the number of data points.

[0018] As a further solution of the present invention, the step of obtaining the chemical reaction index is specifically as follows:

[0019] Selecting key biochemical features from the biomimetic chemical data set, quantitatively analyzing the chemical component content of multiple features, identifying the reaction activity parameters of the differentiated components, and obtaining quantitative chemical activity data;

[0020] Through the quantitative chemical activity data, the application potential is analyzed and the formula is applied:

[0021]

[0022] Calculate the reaction quantification value of the differentiated chemical composition I chem , get the chemical reaction index;

[0023] Among them, B j is the chemical activity parameter of the jth component, C j is the performance score of the jth component, and m represents the total number of components.

[0024] As a further solution of the present invention, the steps for obtaining the optimized flame retardant chemical pathway are specifically as follows:

[0025] The estimated chemical reaction is simulated by using the chemical reaction index, and the chemical kinetic model and the thermodynamic properties of the reactants are used to simulate to obtain an initialized chemical pathway data set;

[0026] According to the initialized chemical pathway data set, the reaction rate, reaction product and reaction conditions are referenced for screening, using the formula:

[0027] C=k·(r max -r min )+r avg ;

[0028] Calculate the cost-effectiveness value C of each pathway to obtain the screened chemical pathway set;

[0029] Among them, k represents the adjustment coefficient, r max 、r min and r avg Represent the maximum, minimum and average values ​​of the reaction rate in each chemical pathway;

[0030] A pathway that prioritizes operability and cost-effectiveness is selected from the screened chemical pathway set, and the feasibility under experimental conditions is analyzed, with reference to cost, experimental difficulty and application potential, to obtain an optimized flame retardant chemical pathway.

[0031] As a further solution of the present invention, the steps of obtaining the chemical formula synthesis record are specifically as follows:

[0032] According to the optimized flame retardant chemical pathway, chemical formula synthesis of the flame retardant polymer sheath material is performed in a laboratory environment, and information of each chemical experiment operation is recorded, including the types and quantities of raw materials and catalysts used, to obtain a chemical experiment operation record;

[0033] Extract key data of the chemical formula synthesis stage of the flame retardant polymer sheath material through the chemical experiment operation record, including reaction temperature, reaction time and reactant concentration, to obtain key reaction data;

[0034] Through the key reaction data, according to the reaction conditions, the changes in temperature and concentration are identified, using the formula:

[0035]

[0036] Calculate the reaction rate constant RQ under each experimental condition and obtain the chemical formula synthesis record;

[0037] Among them, E a is the quantity with the lowest energy threshold in chemical reactions, R is the gas constant, T is the absolute temperature, and e is a natural constant.

[0038] As a further solution of the present invention, the steps for obtaining the characteristic data of the synthetic flame retardant are specifically as follows:

[0039] Extracting a flame-retardant polymer sheath material sample that has completed the reaction from the chemical formula synthesis record, performing structure and performance analysis on the sample, recording the analysis results, and obtaining structure and performance analysis results;

[0040] The flame retardant effect and stability of the flame retardant polymer sheath material are verified through the structural and performance analysis results, and the verification record is obtained through quantitative testing, including combustion rate and heat resistance performance determination;

[0041] Through the verification records, combined with the standards for flame retardant polymer sheath materials, the formula is used:

[0042]

[0043] Calculate the consistency index R of flame retardants and standards i , obtain the characteristic data of synthetic flame retardants;

[0044] Among them, P expis the experimental value, P std is the standard value and n is the number of data points i.

[0045] As a further solution of the present invention, the steps for obtaining the fire resistance test results are specifically as follows:

[0046] Using the synthetic flame retardant characteristic data, setting differentiated conditions in the laboratory, including temperature, oxygen concentration and flame size, to conduct flame retardancy tests on polymer sheath materials and obtain initial fire performance data;

[0047] By initializing the fire performance data, performing data verification and repeatability tests, verifying the reliability and representativeness of the data, analyzing the fire performance effect of the polymer sheath material under differentiated conditions, and obtaining fire performance analysis results;

[0048] According to the fire performance analysis results, the performance of the polymer sheath material was tested using the formula:

[0049]

[0050] Calculate the fire performance optimization percentage DR and obtain the fire performance test results;

[0051] Among them, S t represents the safety performance index after the test, and S0 represents the baseline safety performance index.

[0052] As a further solution of the present invention, the steps for obtaining the optimized sheath material formula are specifically as follows:

[0053] Through the fire retardancy test results, the real-time flame retardant effect of the polymer sheath material is evaluated, the characteristics of the chemical substances that need to be improved are identified, and a list of improvement requirements is obtained;

[0054] Based on the improvement requirement list, the chemical formula of the flame retardant polymer sheath material is adjusted, and the flame retardant effect of the differentiated formula is tested through experiments to obtain a differentiated formula record;

[0055] Based on the differentiated recipe record, the chemical recipe of the flame retardant polymer jacket material is iteratively processed and optimized using the formula:

[0056] F=k·(C opt -C base );

[0057] Calculate the formula optimization value F of the flame retardant polymer sheath material to obtain the optimized sheath material formula;

[0058] Among them, k is the adjustment coefficient, C opt and C base Represent the chemical performance indicators after optimization and baseline, respectively.

[0059] Compared with the prior art, the advantages and positive effects of the present invention are:

[0060] In the present invention, through the collection and analysis of bionic chemical data, the protection mechanism of organisms in nature against differentiated temperatures is successfully converted into specific chemical fire retardant properties. This conversion is not only based on in-depth research on biological properties, but also uses correlation analysis to clarify the direct connection between biological properties and flame retardant effects. The development of flame retardants is no longer a single chemical experimental speculation, but has a clear biological basis, which improves the pertinence and efficiency of the flame retardant properties of materials. Through simulation and experimental analysis, the optimized chemical path selection makes the experimental operation more precise and economical, ensuring the maximization of cost-effectiveness and practicality. Through the precise recording and analysis of each parameter in the chemical synthesis process, the performance and stability of the synthetic flame retardant are fully verified, which has a significant effect on improving product quality and reliability. The refined management of performance testing not only improves the repeatability of the experiment, but also optimizes the flame retardant properties of the overall material, laying a solid foundation for the commercial application and large-scale production of future materials. BRIEF DESCRIPTION OF THE DRAWINGS

[0061] Figure 1 is a system flow chart of the present invention;

[0062] Figure 2 A flow chart of the biomimetic chemical data set in the present invention;

[0063] Figure 3 A flow chart of chemical reaction indicators in the present invention;

[0064] Figure 4 A flow chart of the optimized flame retardant chemical pathway in the present invention;

[0065] Figure 5 A flow chart of the chemical formula synthesis record of the present invention;

[0066] Figure 6 It is a flow chart of the characteristic data of the synthetic flame retardant in the present invention;

[0067] Figure 7 It is a flow chart of the fire resistance test results in the present invention;

[0068] Figure 8 The figure is a flow chart of the optimized sheath material formula in the present invention. DETAILED DESCRIPTION

[0069] In order to make the purpose, technical solution and advantages of the present invention more clearly understood, the present invention is further described in detail below in conjunction with the accompanying drawings and embodiments. It should be understood that the specific embodiments described herein are only used to explain the present invention and are not intended to limit the present invention.

[0070] In the description of the present invention, it should be understood that the terms "length", "width", "up", "down", "front", "back", "left", "right", "vertical", "horizontal", "top", "bottom", "inside", "outside" and the like indicate positions or positional relationships based on the positions or positional relationships shown in the drawings, and are only for the convenience of describing the present invention and simplifying the description, rather than indicating or implying that the device or element referred to must have a specific orientation, be constructed and operated in a specific orientation, and therefore cannot be understood as limiting the present invention. In addition, in the description of the present invention, "multiple" means two or more, unless otherwise clearly and specifically defined.

[0071] See also Figure 1 , a chemical formulation optimization system for flame retardant polymer sheath materials includes:

[0072] The bionic chemical simulation module collects biological data of the target organism's reaction to flames, including the protective reaction characteristics of leaves to differential temperatures, compares and analyzes the biological data with the chemical fire protection mechanism to obtain a bionic chemical data set, extracts characteristic parameters associated with the fire protection effect, performs correlation analysis, analyzes the correlation between biological characteristics and fire protection performance, and obtains chemical reaction indicators;

[0073] The flame retardant path screening module uses chemical reaction indicators to simulate the estimated chemical reactions, analyze the chemical paths, and refer to the feasibility and cost-effectiveness under experimental conditions. It quantitatively analyzes the number of reactants in the path and the required reaction condition switching, compares the experimental product yield of each path, and combines the deviation between real-time measurement values ​​and theoretical values ​​to screen the paths that prioritize experimental operability and cost-effectiveness to obtain the optimized flame retardant chemical path.

[0074] The chemical synthesis module synthesizes the chemical formula of the flame-retardant polymer sheath material in a laboratory environment according to the optimized flame-retardant chemical pathway, records multiple parameters in the synthesis process of the flame-retardant polymer sheath material, including reaction time, temperature and catalyst used, obtains the chemical formula synthesis record, analyzes the structure and performance of the synthesized chemical substances, verifies the flame retardant effect and stability, and obtains the characteristic data of the synthetic flame retardant;

[0075] The performance testing module uses the characteristic data of synthetic flame retardants to conduct flame retardant performance tests on polymer sheath materials in the laboratory, records the fire performance of polymer sheath materials under differentiated conditions, obtains fire performance test results, adjusts the chemical formula and processing technology of flame retardant polymer sheath materials, optimizes the overall flame retardant properties of polymer sheath materials, and obtains the optimized sheath material formula.

[0076] The bionic chemistry data set includes key fire-retardant chemical features, characteristic parameters associated with fire-retardant effects, and the degree of correlation between biological characteristics and fire-retardant performance. Chemical reaction indicators include thermal stability, flame suppression effect, and fire-retardant durability. The optimized flame-retardant chemical pathways include pathways that are feasible, cost-effective, and experimentally easy to operate under experimental conditions. Chemical formula synthesis records include reaction time, temperature, and catalysts used. The characteristic data of synthetic flame retardants include the structure, performance analysis, flame retardant effect, and stability of chemical substances. The fire-retardant performance test results include the fire-retardant performance of polymer sheath materials under differentiated conditions, the determination of flame retardant properties, and the stability evaluation of materials. The optimized sheath material formula includes the chemical formula, processing technology, and overall flame retardant performance of the polymer sheath material.

[0077] See also Figure 2 ,The specific steps for obtaining the biomimetic chemistry dataset are:

[0078] Collect biological data on the target organism's response to flame, select target organisms, monitor and record biological responses under differentiated temperature conditions, record biological changes and defensive behaviors of skin and leaves after flame exposure, and obtain initial biological response data;

[0079] Select appropriate organisms, monitor the response to different temperature levels through temperature sensors, and record the biological changes and defensive behaviors of the skin and leaves after direct contact with flames. In this process, the biological response data of the organism to flames are captured in real time by high-precision temperature sensors, and each data point is marked with a timestamp to ensure the timing correctness and traceability of the data. An advanced data acquisition system is used, which is equipped with environmental monitoring sensors to monitor temperature, humidity and wind speed at the same time to eliminate the influence of external environmental factors on the experimental data. The collected data are preliminarily screened, and the data cleaning algorithm is used to remove outliers caused by environmental noise or equipment failure. The biological response patterns related to direct contact with flames are identified by clustering analysis of the biological response data of organisms at different temperatures. The data are analyzed by professional biostatistical software to compare the response differences of different organisms and obtain the initialized biological response data.

[0080] Screen and process the initial biological response data, exclude nonspecific data caused by environmental variables or test errors, record the fire resistance characteristics of the target organisms, and obtain processed biological data;

[0081] Data processing software is used to screen out valid data from the initialized biological response data. Data deviations caused by experimental equipment errors and environmental factors are eliminated through standardization processing. Statistical software is used to perform preliminary descriptive analysis on the collected data, such as calculating the mean, median and standard deviation, which helps to understand the basic distribution of the data. Advanced data cleaning techniques are implemented to identify and eliminate obvious abnormal data points caused by equipment failure or operational errors. Machine learning algorithms are used for pattern recognition to identify the specific response of organisms to temperature from the data to ensure that the analyzed data can truly reflect the fire resistance characteristics of the organism. Data normalization processing is performed to adjust all biological response data to a unified scale to eliminate the impact of different measurement units, so as to carry out subsequent in-depth analysis and obtain processed biological data.

[0082] Using the processed biological data, key fire-resistant chemical signatures were identified and extracted using the formula:

[0083]

[0084] Calculate the fire resistance strength values ​​of the data points and build a biomimetic chemical data set by combining biological characteristics;

[0085] Among them, R bio Represents the fire resistance rating of an organism, A i represents the fire activity index of data point i, T i is the corresponding temperature intensity, n is the number of data points;

[0086] The formula can quantitatively evaluate the adaptability and defense effectiveness of organisms to flames by comparing the fire-resistant activity indicators of organisms at different temperatures, providing a scientific basis for bionic chemical fire-resistant properties.

[0087] In an experiment, three data points are observed, and the fire activity index A of each data point is i They are 120, 150, and 130 respectively, and the corresponding temperatures T i They are 300K, 350K and 320K respectively;

[0088] Substituting the parameters into the formula:

[0089]

[0090] The results show that the overall fire protection characteristics of organisms against flames are scored as 1.23485, indicating that organisms have flame protection capabilities. This score can help determine that some biological characteristics are highly correlated with fire protection performance in the construction of bionic chemical datasets, and further guide the extraction of chemical properties and the development of bionic materials.

[0091] See also Figure 3, the steps for obtaining chemical reaction indicators are as follows:

[0092] Select key biochemical features from biomimetic chemical data sets, quantitatively analyze the chemical content of multiple features, identify the reactivity parameters of differentiated components, and obtain quantitative chemical activity data;

[0093] Key biochemical features are selected from the biomimetic chemistry dataset based on the response characteristics of specific chemical components exhibited by the target organism in the flame environment, especially chemical markers that show significant stability or changes under high temperature conditions. By applying high-performance liquid chromatography (HPLC) technology, the content of characteristic chemical components can be accurately determined. The HPLC analysis process includes sample preparation, column chromatography selection, mobile phase optimization, and detector adjustment to ensure high repeatability and accuracy of the test. In the experimental setup, each sample is processed with precisely controlled solvent flow rates and gradients, which not only improves the efficiency of the analysis, but also enhances the separation effect, allowing more accurate quantification of each chemical component. By comparing with known fire-resistant chemical reaction data, the relevance and effectiveness of the obtained data can be verified to obtain quantitative chemical activity data.

[0094] Analyze application potential through quantitative chemical activity data and apply the formula:

[0095]

[0096] Calculate the reaction quantification value of the differentiated chemical composition I chem , get the chemical reaction index;

[0097] Among them, B j is the chemical activity parameter of the jth component, C j is the efficacy score of the jth component, and m represents the total number of components;

[0098] The formula emphasizes the contribution of the high potency score to the total reaction index by adding the product of the square of the potency score and the chemical activity parameter, while the use of the total number of components m under the square root introduces standardization for the calculation of chemical reaction indexes, ensuring comparability between different tests;

[0099] This formula combines chemical activity and potency scores to evaluate the overall response index of chemical components, providing a standard for quantifying flame response;

[0100] In the specific calculation process, consider a set of sample data, B1 = 0.8, B2 = 0.5, C1 = 1.5, C2 = 1.0, m = 2, then the calculation is as follows:

[0101]

[0102] The results show that under the given experimental conditions, the tested chemical components are active in the fire-retardant chemical reaction, and the value directly reflects the contribution of the chemical components to the fire-retardant performance.

[0103] See also Figure 4 The steps for obtaining the optimized flame retardant chemical pathway are as follows:

[0104] The estimated chemical reaction is simulated through chemical reaction indicators, and the chemical kinetic model and the thermodynamic properties of the reactants are used to simulate to obtain an initialized chemical path data set;

[0105] According to the type of chemical reaction, the characteristics of the reactants and the environmental conditions, professional simulation software is used to simulate various chemical reaction pathways. The simulation process is supported by experimental data to ensure the accuracy and practicality of the simulation. Further preliminary screening is carried out based on core parameters such as reaction rate, energy release and reaction time. The feasibility and cost-effectiveness of each pathway are evaluated through scientific screening criteria, including chemical reaction pathways that are feasible in theory and have high cost-effectiveness in practice. This provides a scientific basis and data support for the next step of in-depth screening and analysis, ensures the scientificity and practicality of the screening process, and obtains an initialized chemical pathway data set.

[0106] Based on the initialized chemical pathway data set, the reaction rate, reaction products and reaction conditions were screened using the formula:

[0107] C=k·(r max -r min )+r avg ;

[0108] Calculate the cost-effectiveness value C of each pathway to obtain the screened chemical pathway set;

[0109] Among them, k represents the adjustment coefficient, r max 、r min and r avg Represent the maximum, minimum and average values ​​of the reaction rate in each chemical pathway;

[0110] The formula can flexibly adjust the sensitivity of the cost-effectiveness index C by adjusting the size of the coefficient k to meet the evaluation needs of different chemical reaction pathways. The formula can effectively measure the impact of the variation of the reaction rate on the cost-effectiveness and provide a quantitative basis and tool for selecting the most optimized chemical pathway.

[0111] In specific applications, the setting of k will be adjusted based on historical data and expert experience to ensure that the formula can accurately reflect the cost-effectiveness of different chemical pathways. max =100, r min =75, ravg =88;

[0112] The calculation process is:

[0113] C=0.5·(100-75)+88=100.5;

[0114] The results show that the selected chemical pathway reaches 100.5 in terms of cost-effectiveness index, indicating that the pathway has a cost-effectiveness ratio and is a chemical reaction pathway worthy of consideration.

[0115] Select the pathway with the highest operability and cost-effectiveness from the screened chemical pathway set, calculate the reaction efficiency and screen the pathway with stable yield, determine the conversion rate of the intermediate product and adjust the catalytic conditions to control the feed rate to ensure that the concentration fluctuation is controlled, and obtain the optimized flame retardant chemical pathway;

[0116] To select a pathway that prioritizes operability and cost-effectiveness from the screened chemical pathway set, it is necessary to gradually analyze the raw material cost, catalyst requirements, energy consumption, reaction time, and final yield of each pathway. The calculation of raw material costs should be based on market price data. The unit price of each raw material can be obtained through supplier quotations or historical purchase records. The market price of raw material A is 12 yuan / kg, and the market price of raw material B is 8 yuan / kg. If a certain pathway requires 10kg of raw material A and 15kg of raw material B, the raw material cost of the pathway is:

[0117] (10×12)+(15×8)=180;

[0118] The calculation of catalyst cost needs to consider the unit price and loss rate of the catalyst. For example, the market price of a catalyst C is 50 yuan / g, and the loss rate of each reaction is 5%. If 2g of catalyst C is used in each experiment of this path, the catalyst cost per experiment is:

[0119] 50×2×(1+5%)=105 yuan;

[0120] In terms of energy consumption, it is necessary to calculate the power and operating time of heating, stirring and other equipment. If the heating power of a certain path is set to 2kW and the duration is 3h, the energy consumption is:

[0121] 2×3=6;

[0122] According to 0.6 yuan / kWh calculation, the energy consumption cost of this path is 6×0.6=3.6 yuan. Combining the above costs and experimental yields, if the mass of the product of a certain path is 20kg, the total cost is (180+105+3.6)=288.6 yuan, then the cost per unit mass of the product is 288.6 / 20=14.43 yuan / kg. The path with the lower cost is preferred. Calculate the reaction efficiency and select the path with stable yield. The reaction efficiency calculation needs to consider the generation rate and conversion rate of the intermediate product. For example, within 2h, the generation amount of the intermediate product D of a certain path is 5kg, and the mass converted to the target product is 4.5kg, then the conversion rate is (4.5 / 5)×100%=90%. If the path is used in multiple experiments, the conversion rate is (4.5 / 5)×100%=90%. The conversion rate was stable during the test, indicating that the pathway was stable. Otherwise, it needed to be optimized. During the optimization process, the conversion rate of the intermediate product needed to be determined and the catalytic conditions needed to be adjusted. The optimization of catalytic conditions involved catalyst concentration and temperature control. The optimal concentration range of catalyst D was 0.1-0.15 mol / L. When the concentration was lower than 0.1 mol / L, the conversion rate dropped below 80%. When the concentration exceeded 0.15 mol / L, the number of side reactions increased, resulting in reduced selectivity. Therefore, the catalyst dosage was adjusted to maintain its concentration at 0.12 mol / L. At the same time, the feed rate was controlled to ensure that the concentration fluctuation was controlled. 0.5 L of reactant was added per minute so that the overall reaction solution concentration changed by less than 5%, and the optimized flame retardant chemical pathway was obtained.

[0123] See also Figure 5 , the specific steps for obtaining chemical formula synthesis records are:

[0124] According to the optimized flame retardant chemical pathway, the chemical formula synthesis of the flame retardant polymer sheath material is carried out in a laboratory environment, and the information of each chemical experimental operation is recorded, including the types and quantities of the raw materials and catalysts used, to obtain a chemical experimental operation record;

[0125] According to previous research and theoretical deduction, appropriate raw materials and catalysts are selected based on the reaction activity of the raw materials and the efficiency of the catalyst. The types and quantities of raw materials used in the experiment, as well as the types and amounts of catalysts used, are accurately recorded to ensure the repeatability and traceability of the experiment. Detailed operation steps are recorded, such as the order of adding raw materials, the control of reaction temperature and time, and the timing and method of adding catalysts, which all have a decisive influence on the experimental results. Recording details not only helps to track every link of the experimental operation, but also provides adjustment directions when the experiment fails. Recorded data includes the material and capacity of the reaction vessel, the type and accuracy of the equipment for controlling the temperature. Accurate recording of data is the basis for analyzing the consistency of material performance. Experimental operations are recorded through an electronic experimental log system, which supports instant input and long-term storage of data. Experimenters can easily replicate successful experiments or adjust undesirable parameters through this system. Without changing the basic formula, product performance can be optimized by fine-tuning the experimental conditions. The experimental results will make a preliminary evaluation of the flame retardant effect and stability of the material, and obtain a record of chemical experimental operations.

[0126] Through the chemical experiment operation records, the key data of the chemical formula synthesis stage of the flame retardant polymer sheath material, including reaction temperature, reaction time and reactant concentration, are extracted to obtain key reaction data;

[0127] The reaction temperature directly affects the rate of polymerization and the length of the polymer chain, and determines the mechanical properties and thermal stability of the material. The reaction time affects the degree of polymerization. Too short reaction time leads to incomplete polymerization, while too long reaction time causes unnecessary degradation or cross-linking reactions. The type and amount of catalyst also have a significant effect on the reaction rate and product distribution. Optimizing parameters can significantly improve product quality and consistency. When analyzing data, it is necessary to consider the control accuracy of each experimental stage, such as the accuracy of temperature control and whether the time control is accurate to seconds. The concentration of the reactants needs to be determined by precise quantitative analysis, which involves high-performance liquid chromatography (HPLC) or mass spectrometry (MS) technology for precise measurement. Through analysis, researchers can determine that some parameters play a key role in the experiment and adjust the experimental design accordingly to improve material performance. Accurate control and analysis of key reaction data are the basis for optimizing product performance, achieving the best balance between material performance and cost-effectiveness, and obtaining key reaction data.

[0128] Through key reaction data, according to the reaction conditions, the changes in temperature and concentration are identified, using the formula:

[0129]

[0130] Calculate the reaction rate constant RQ under each experimental condition and obtain the chemical formula synthesis record;

[0131] Among them, E aIt is the quantity with the lowest energy threshold in chemical reaction, R is the gas constant, T is the absolute temperature, and e is the natural constant;

[0132] The formula can flexibly control the polymerization rate R by adjusting the temperature T, and optimize the molecular structure and performance of the polymer;

[0133] Consider a specific experimental setting, setting the minimum energy threshold E for the reaction chemical reaction a =40 kJ / mol, gas constant R = 8.314, reaction temperature T = 298 Kelvin;

[0134] By substituting into the formula:

[0135]

[0136] In this way, researchers can adjust temperature parameters to achieve precise control of the polymerization reaction rate, affecting the molecular weight distribution and mechanical properties of the polymer. This precise rate control is very valuable in practical applications. When manufacturing fire-proof materials, the thermal stability and flame retardant properties of the material can be adjusted by controlling the polymerization rate. The results show that by precise temperature control, the synthesis rate of the polymer can be effectively controlled, affecting the performance and quality of the product.

[0137] See also Figure 6 , the specific steps for obtaining the characteristic data of synthetic flame retardants are:

[0138] Extracting a flame retardant polymer sheath material sample that has completed the reaction from the chemical formula synthesis record, performing structure and performance analysis on the sample, recording the analysis results, and obtaining structure and performance analysis results;

[0139] It is crucial to record the details of each chemical experiment operation, including the type of raw materials used, the type of catalyst and its amount. Detailed records of data are decisive for ensuring the repeatability of the experiment and the accuracy of the results. The records are not limited to raw materials and catalysts, but also include the type of reactor, reaction temperature, reaction time and any abnormal conditions that occur during the reaction. Data collection and analysis are extremely critical for subsequent data processing and experimental reproduction because they are directly related to the reliability of experimental results and the evaluation criteria for flame retardant material performance. Through detailed records, scientists can accurately track the changes in each experimental step and variable, evaluate the impact of variables on flame retardant effects, provide data support and scientific basis for the optimization and application of material properties, and obtain structural and performance analysis results.

[0140] The flame retardant effect and stability of the flame retardant polymer sheath material are verified through structural and performance analysis results, and verification records are obtained through quantitative testing, including burning rate and heat resistance determination;

[0141] Quantitative test results are used to directly verify whether the flame retardant properties of the material meet the predetermined safety standards and performance indicators. The tests include the combustion behavior of the material under different environmental conditions, the chemical stability and physical stability of the flame retardant, and the structural retention of the material under extreme temperatures. Through the test, scientists can understand in detail the performance of flame retardant materials in actual applications, analyze the pros and cons of flame retardant mechanisms and effects. After systematic collection and analysis of the data, it can clearly show the performance and durability of the material under extreme conditions, providing a scientific basis for the commercial application of the material and further performance optimization. At the same time, the test results also provide support for the market promotion and application safety of the material, and obtain verification records.

[0142] Through verification records, combined with the standards for flame retardant polymer sheath materials, the formula is used:

[0143]

[0144] Calculate the consistency index R of flame retardants and standards i , obtain the characteristic data of synthetic flame retardants;

[0145] Among them, P exp is the experimental value, P std is the standard value, n is the number of data points i;

[0146] The formula provides a measure to quantify the consistency of flame retardants with predetermined standards by calculating the average of the sum of squares of the differences between experimental values ​​and standard values. This measure helps to identify the characteristic parameters that need to be improved and promotes the advancement of flame retardant technology.

[0147] Set the flame retardant effect data measured in the experiment as P exp =[210, 195, 205];

[0148] The standard data is P std = [200, 200, 200];

[0149] The number of data points n = 3;

[0150] The specific calculation steps are as follows:

[0151] Calculate the squared difference for each data point: (210-200) 2 =100, (195-200) 2 =25,

[0152] (205-200) 2 =25;

[0153] Find the sum of the squares of the differences: 100+25+25=150;

[0154] Calculate the consistency index:

[0155]

[0156] The results show that the average consistency index is 50, which means that there is a certain deviation between the experimental value and the standard value, indicating that the performance of the flame retardant is not completely consistent with the expected standard at some test points, and further adjustment of the formula or production process is needed to achieve better consistency. This analysis provides a quantitative basis and direction for the future improvement of flame retardants.

[0157] See also Figure 7 , the specific steps for obtaining the fire performance test results are as follows:

[0158] Using synthetic flame retardant property data, set up differentiated conditions in the laboratory, including temperature, oxygen concentration and flame size, conduct flame retardancy tests on polymer sheath materials, and obtain initial fire performance data;

[0159] In the laboratory, by setting different environmental conditions, such as temperature, oxygen concentration and flame size, the flame retardancy of polymer sheath materials is systematically tested. By precisely controlling the experimental variables, it is ensured that the data obtained can truly reflect the fire resistance of the material. The data will be used to compare the fire resistance performance of different materials or under different conditions. During the experiment, the specific conditions of each test and the response of the material are recorded in detail, including the precise value of the temperature, the proportion of oxygen concentration, and the size and shape of the flame. All data are measured and recorded by high-precision instruments to ensure the accuracy and repeatability of the data. The collection of experimental data adopts an automated data recording system to reduce the possibility of human errors and data deviations, and improve the reliability and scientificity of the experimental data. After the experiment, the data is sorted and preliminarily analyzed to determine the performance of the material under various test conditions and obtain the initial fire resistance performance data.

[0160] By initializing the fire performance data, performing data verification and repeatability tests, verifying the reliability and representativeness of the data, analyzing the fire protection effect of the polymer sheath material under differentiated conditions, and obtaining the fire performance analysis results;

[0161] Conduct data verification and repeatability tests, and use scientific methods to ensure that the data from each experiment is reliable and consistent. Use advanced data analysis techniques, such as statistical analysis, to deeply analyze the fireproofing effects of materials under different test conditions. The analysis helps understand the factors that most affect the fireproofing performance of materials. Statistical analysis mainly includes the calculation of coefficient of variation, comparison of average fireproofing effects, and determination of standard deviation. Statistical indicators can intuitively display the performance fluctuations of materials under the same test conditions and the performance differences under different conditions. The stability and reliability of the data are confirmed through repeated experiments to ensure the universality and scientificity of the experimental results. The fireproofing performance under each condition is recorded in detail. Through comparative analysis, a scientific basis is provided for subsequent material improvement and application, and the fireproofing performance analysis results are obtained.

[0162] According to the fire performance analysis results, the performance of the polymer sheath material was tested using the formula:

[0163]

[0164] Calculate the fire performance optimization percentage DR and obtain the fire performance test results;

[0165] Among them, S t represents the safety performance index after the test, and S0 represents the baseline safety performance index;

[0166] The formula can intuitively show the extent of improvement in fire protection performance and provide a quantitative way to evaluate the fire protection effect by calculating the change ratio of safety performance indicators before and after.

[0167] The safety performance index S0 before the experiment is set to 100, and the safety performance index S after the experiment is set to t is 150, through the formula:

[0168]

[0169] The results showed that the fire resistance was improved by 50%. The results showed that the fire resistance of the polymer sheath material was significantly improved by changing the experimental settings, which is valuable information for the further application and development of the material.

[0170] See also Figure 8 , the specific steps for obtaining the optimized sheath material formula are:

[0171] Through the fire performance test results, the real-time flame retardant effect of the polymer sheath material is evaluated, the characteristics of the chemical substances that need to be improved are identified, and a list of improvement requirements is obtained;

[0172] Detailed evaluation of the current flame retardant effect of polymer sheath materials. For some chemical substances that do not meet the expected flame retardant standards, systematic identification and record of properties that need to be improved. Comparative analysis with existing materials on the market ensures that the performance differences of all key chemical substances are covered, especially the stability under high temperature conditions and the reactivity under low temperature conditions. Data from advanced research institutions and industry reports are integrated. Multiple regression and variance analysis are used to quantitatively analyze the specific effects of each chemical substance on polymer properties. Theoretical models are combined with experimental observations to provide precise data support for further chemical modification and formulation adjustments. New testing technologies such as simultaneous thermal analysis and infrared spectroscopy are introduced to more carefully explore the microstructure and thermal decomposition behavior of the material, and obtain a list of improvement needs.

[0173] Based on the improvement requirements list, adjust the chemical formula of the flame-retardant polymer sheath material, test the flame-retardant effect of the differentiated formula through experiments, and obtain the differentiated formula record;

[0174] The chemical formula of the flame-retardant polymer sheath material was redesigned and adjusted, and the flame retardant effect of different formulas was tested through a series of laboratory-level formula tests, including the exploration of new flame retardants and additives. The variable control method was adopted in the experiment to ensure that the environmental conditions of each test, such as temperature, pressure and oxygen concentration, were consistent. Each new formula was subjected to a combustion test to record the burning rate, the amount and quality of smoke produced, and the structural stability at high temperatures. A high-speed camera was used to capture the process of material combustion for detailed visual analysis. Thermogravimetric analysis (TGA) and differential scanning calorimetry (DSC) techniques were used to evaluate the thermal stability and thermal decomposition characteristics of the material. Through detailed testing and data analysis, the performance of different formulas was compared, and the formula with the best flame retardant effect was selected as the preliminary optimized sheath material formula. This formula will enter a more extensive application test phase to verify the performance in actual use and obtain a differentiated formula record.

[0175] Based on the differentiated recipe record, the chemical recipe of the flame retardant polymer jacket material was iteratively processed and optimized using the formula:

[0176] F=k·(C opt -C base );

[0177] Calculate the formula optimization value F of the flame retardant polymer sheath material to obtain the optimized sheath material formula;

[0178] Among them, k is the adjustment coefficient, C opt and C base represent the chemical performance indicators after optimization and baseline, respectively;

[0179] The formula can flexibly adjust the optimization degree of the formula according to different environments or application requirements by adjusting the selection of the coefficient k, making the performance adjustment of the sheath material more refined and targeted;

[0180] The adjustment coefficient k is set to 1.5, which is based on experimental data;

[0181] Setting Baseline Chemical Performance C base =30, the average value obtained through extensive testing of similar materials currently on the market;

[0182] Optimized chemical performance index C opt =45 is based on the latest laboratory test results that take into account newly introduced chemical ingredients and improved processing technology;

[0183] The calculation process is:

[0184] F = 1.5 (45-30) = 22.5;

[0185] The results show that the optimization value of the formula is increased by 22.5 units, significantly improving the overall flame retardant properties of the polymer sheath material. This result not only verifies the effectiveness of the new formula, but also provides strong technical support for the commercial application of future materials.

[0186] The above are only preferred embodiments of the present invention and are not intended to limit the present invention in other forms. Any technician familiar with the profession may use the technical contents disclosed above to change or modify them into equivalent embodiments with equivalent changes and apply them to other fields. However, any simple modification, equivalent change and modification made to the above embodiments based on the technical essence of the present invention without departing from the technical solution of the present invention still falls within the protection scope of the technical solution of the present invention.

Claims

1. A chemical formula optimization system for flame retardant polymer sheath materials, characterized in that: The system comprises: The bionic chemical simulation module collects biological data of the target organism's reaction to flames, including the protective reaction characteristics of leaves to differential temperatures, compares and analyzes the biological data with the chemical fire protection mechanism, obtains the bionic chemical data set, performs correlation analysis, analyzes the correlation between biological characteristics and fire protection performance, and obtains chemical reaction indicators; The flame retardant path screening module uses the chemical reaction index to simulate the estimated chemical reaction, analyze the chemical path, refer to the feasibility and cost-effectiveness under experimental conditions, quantitatively analyze the number of reactants in the path and the required reaction condition switching, compare the data of the experimental product yield of each path, and combine the deviation between the real-time measurement value and the theoretical value to screen the path that prioritizes experimental operability and cost-effectiveness to obtain the optimized flame retardant chemical path; The chemical substance synthesis module performs chemical formula synthesis of the flame retardant polymer sheath material in a laboratory environment according to the optimized flame retardant chemical pathway, records multiple parameters in the synthesis process of the flame retardant polymer sheath material, obtains a chemical formula synthesis record, performs structure and performance analysis on the synthesized chemical substances, verifies the flame retardant effect and stability, and obtains characteristic data of the synthetic flame retardant; The performance testing module uses the synthetic flame retardant characteristic data to perform flame retardant performance tests on polymer sheath materials in the laboratory, records the fire performance of polymer sheath materials under differentiated conditions, obtains fire performance test results, adjusts the formulation and processing of chemical substances, and obtains an optimized sheath material formulation.

2. The chemical formula optimization system for flame retardant polymer sheath materials according to claim 1, characterized in that: The steps for obtaining the bionic chemistry data set are specifically as follows: Collect biological data on the target organism's response to flame, select target organisms, monitor and record biological responses under differentiated temperature conditions, record biological changes and defensive behaviors of skin and leaves after flame exposure, and obtain initial biological response data; screening and processing the initialized biological response data, excluding nonspecific data caused by environmental variables or test errors, recording the fire resistance characteristics of the target organism, and obtaining processed biological data; Using the processed biological data, key fire-resistant chemical features were identified and extracted using the formula: Calculate the fire resistance strength values ​​of the data points and build a biomimetic chemical data set by combining biological characteristics; Among them, R bio Represents the fire resistance rating of an organism, A i represents the fire activity index of data point i, T i is the corresponding temperature intensity, and n is the number of data points.

3. The chemical formula optimization system for flame retardant polymer sheath material according to claim 2, characterized in that: The steps for obtaining the chemical reaction index are specifically as follows: Selecting key biochemical features from the biomimetic chemical data set, quantitatively analyzing the chemical component content of multiple features, identifying the reaction activity parameters of the differentiated components, and obtaining quantitative chemical activity data; Through the quantitative chemical activity data, the application potential is analyzed and the formula is applied: Calculate the reaction quantification value of the differentiated chemical composition I chem , get the chemical reaction index; Among them, B j is the chemical activity parameter of the jth component, C j is the performance score of the jth component, and m represents the total number of components.

4. The chemical formula optimization system for flame retardant polymer sheath material according to claim 3, characterized in that: The steps for obtaining the optimized flame retardant chemical pathway are specifically as follows: The estimated chemical reaction is simulated by using the chemical reaction index, and the chemical kinetic model and the thermodynamic properties of the reactants are used to simulate to obtain an initialized chemical pathway data set; According to the initialized chemical pathway data set, the reaction rate, reaction product and reaction conditions are referenced for screening, using the formula: C=k·r max -r min +r avg ; Calculate the cost-effectiveness value C of each pathway to obtain the screened chemical pathway set; Among them, k represents the adjustment coefficient, r max 、r min and r avg Represent the maximum, minimum and average values ​​of the reaction rate in each chemical pathway; A pathway that prioritizes operability and cost-effectiveness is selected from the screened chemical pathway set, and the feasibility under experimental conditions is analyzed, with reference to cost, experimental difficulty and application potential, to obtain an optimized flame retardant chemical pathway.

5. The chemical formula optimization system for flame retardant polymer sheath material according to claim 4, characterized in that: The steps for obtaining the chemical formula synthesis record are specifically as follows: According to the optimized flame retardant chemical pathway, chemical formula synthesis of the flame retardant polymer sheath material is performed in a laboratory environment, and information of each chemical experiment operation is recorded, including the types and quantities of raw materials and catalysts used, to obtain a chemical experiment operation record; Through the chemical experiment operation record, key data of the chemical formula synthesis stage of the flame retardant polymer sheath material is extracted, including reaction temperature, reaction time and reactant concentration, to obtain key reaction data; Through the key reaction data, according to the reaction conditions, the changes in temperature and concentration are identified, using the formula: Calculate the reaction rate constant RQ under each experimental condition and obtain the chemical formula synthesis record; Among them, E a is the quantity with the lowest energy threshold in chemical reactions, R is the gas constant, T is the absolute temperature, and e is a natural constant.

6. The chemical formula optimization system for flame retardant polymer sheath material according to claim 5, characterized in that: The steps for obtaining the characteristic data of the synthetic flame retardant are specifically as follows: Extracting a flame-retardant polymer sheath material sample that has completed the reaction from the chemical formula synthesis record, performing structure and performance analysis on the sample, recording the analysis results, and obtaining structure and performance analysis results; The flame retardant effect and stability of the flame retardant polymer sheath material are verified through the structural and performance analysis results, and the verification record is obtained through quantitative testing, including combustion rate and heat resistance performance determination; Through the verification records, combined with the standards for flame retardant polymer sheath materials, the formula is used: Calculate the consistency index R of flame retardants and standards i , obtain the characteristic data of synthetic flame retardants; Among them, P exp is the experimental value, P std is the standard value and n is the number of data points i.

7. The chemical formula optimization system for flame retardant polymer sheath material according to claim 6, characterized in that: The steps for obtaining the fire performance test results are specifically as follows: Using the synthetic flame retardant characteristic data, setting differentiated conditions in the laboratory, including temperature, oxygen concentration and flame size, to conduct flame retardancy tests on polymer sheath materials and obtain initial fire performance data; By initializing the fire performance data, performing data verification and repeatability tests, verifying the reliability and representativeness of the data, analyzing the fire performance effect of the polymer sheath material under differentiated conditions, and obtaining fire performance analysis results; According to the fire performance analysis results, the performance of the polymer sheath material was tested using the formula: Calculate the fire performance optimization percentage DR and obtain the fire performance test results; Among them, S t represents the safety performance index after the test, and S0 represents the baseline safety performance index.

8. The chemical formula optimization system for flame retardant polymer sheath material according to claim 7, characterized in that: The steps for obtaining the optimized sheath material formula are specifically as follows: Through the fire retardancy test results, the real-time flame retardant effect of the polymer sheath material is evaluated, the characteristics of the chemical substances that need to be improved are identified, and a list of improvement requirements is obtained; Based on the improvement requirement list, the chemical formula of the flame retardant polymer sheath material is adjusted, and the flame retardant effect of the differentiated formula is tested through experiments to obtain a differentiated formula record; Based on the differentiated recipe record, the chemical recipe of the flame retardant polymer jacket material is iteratively processed and optimized using the formula: F=k·C opt -C base ; Calculate the formula optimization value F of the flame retardant polymer sheath material to obtain the optimized sheath material formula; Among them, k is the adjustment coefficient, C opt and C base Represent the chemical performance indicators after optimization and baseline, respectively.

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