CN118072865B

CN118072865B - Organic degradation material distribution model construction method and system

Info

Publication number: CN118072865B
Application number: CN202410481731.6A
Authority: CN
Inventors: 李闫; 范红显; 卢海刚; 崔旸; 李海朋
Original assignee: Hebei Chemical and Pharmaceutical College
Current assignee: Hebei Chemical and Pharmaceutical College
Filing date: 2024-04-22
Publication date: 2024-06-28
Anticipated expiration: 2044-04-22

Abstract

The invention relates to the technical field of data processing, in particular to a method and a system for constructing an organic degradation material distribution model. The method comprises the following steps: acquiring data of an organic degradation material; carrying out material chemical structure analysis on the organic degradation material data to obtain the organic degradation material chemical structure data; carrying out material structure molecule group analysis on the chemical structure data of the organic degradation material to obtain material structure molecule group data; carrying out environmental degradation potential evaluation and environmental factor compensation on the material structure molecule data to obtain material degradation rate data; building an organic degradation material distribution model based on the organic degradation material data to obtain an organic degradation material distribution model; and analyzing the distribution rule of the organic degradation material according to the distribution model of the organic degradation material to obtain distribution rule data of the organic degradation material. The invention enables the distribution model construction technology to be more accurate through optimizing the material distribution model construction technology.

Description

Organic degradation material distribution model construction method and system

Technical Field

The invention relates to the technical field of data processing, in particular to a method and a system for constructing an organic degradation material distribution model.

Background

Investigation and analysis of the distribution of organic degradation materials in the environment involves in-situ observation and sampling of the distribution of materials in different environmental scenarios and evaluation of their degradation performance by laboratory tests. Meanwhile, the material distribution in a large-scale area is monitored and analyzed by using modern technical means such as remote sensing technology, geographic Information System (GIS) and the like, and data support is provided for model construction; secondly, mathematical modeling plays an important role in the construction of the distribution model of the organic degradation material. Based on the existing experimental data and theoretical knowledge, a mathematical model is utilized to describe the evolution rule of the organic degradation material under different environmental conditions. This often involves the use of mathematical tools such as ordinary differential equations, partial differential equations, and the like, as well as the application of numerical modeling methods to predict the distribution and degradation rate of the material. However, the conventional method for constructing the organic degradation material distribution model has the problems of inaccurate analysis of the organic degradation material diffusion path and inaccurate identification of the organic degradation material distribution rule.

Disclosure of Invention

Based on this, it is necessary to provide a method and a system for constructing a distribution model of an organic degradation material, so as to solve at least one of the above technical problems.

In order to achieve the above object, a method for constructing a distribution model of an organic degradation material, the method comprising the steps of:

step S1: acquiring data of an organic degradation material; carrying out material chemical structure analysis on the organic degradation material data to obtain the organic degradation material chemical structure data;

Step S2: performing environment simulation limiting according to the chemical structure data of the organic degradation material to obtain environment simulation limiting data; carrying out material structure molecule group analysis on the chemical structure data of the organic degradation material to obtain material structure molecule group data; carrying out environmental degradation potential evaluation on the material structure molecule data according to the environmental simulation limiting data to obtain material environmental degradation potential data; performing environmental factor compensation according to the material environmental degradation potential data to obtain material degradation rate data;

Step S3: performing dynamic behavior simulation on the organic degradation material data to obtain degradation material dynamic behavior simulation data; performing diffusion path analysis of different media on the dynamic behavior simulation data of the degradation material to obtain diffusion path analysis data; constructing an organic degradation material distribution model according to the diffusion path analysis data to obtain the organic degradation material distribution model;

step S4: and analyzing the distribution rule of the organic degradation material according to the distribution model of the organic degradation material to obtain distribution rule data of the organic degradation material.

According to the invention, by acquiring the data of the organic degradation materials, a comprehensive material database can be established, wherein the comprehensive material database contains chemical structure information of various organic degradation materials, and the aim of the step is to collect basic data of the organic degradation materials, including but not limited to the composition, structure and properties of the materials, so that the database is helpful for in-depth understanding of the characteristics of different materials, and provides a basis for subsequent research and evaluation; through environmental simulation limitation, the environmental conditions in actual use can be more accurately simulated, so that the authenticity and reliability of evaluation are improved, and in the step, the chemical structure data of the organic degradation material is utilized to simulate the behaviors of the organic degradation material under different environmental conditions. Such environmental simulation definitions help to better understand the behavior of a material in different environments, and thus to more accurately assess its degradation properties, by analyzing the structural molecular molecules of the material, one can gain insight into the chemical constitution of the material, providing more detailed information for subsequent evaluations, which involves more extensive analysis of the molecular structure of the material, including identification of different groups and interactions between them. Such analysis helps to understand the degradation mechanism of a material and thereby more accurately predict its behavior in the environment, and by comprehensively considering the environmental modeling data and the material structure molecule group data, the degradation potential of the material in a particular environment can be more comprehensively evaluated, and in this step, the evaluation of the material degradation potential is performed by combining the environmental modeling definition data and the material structure molecule group data. The method is favorable for predicting the degradation speed and mode of the material in the actual use environment, various factors in the actual environment can be better considered through environmental factor compensation, the evaluation accuracy is improved, and in the step, different environmental factors are considered, the degradation potential data of the material are compensated, so that the degradation speed of the material in the actual environment is better reflected. Such compensation may include consideration of temperature, humidity, illumination, etc., making the assessment more practical; the degradation process of the material under different conditions can be simulated by simulating the dynamic behavior of the organic degradation material, so that a reference is provided for understanding the behavior of the material in the actual environment, and the step involves carrying out numerical simulation on the degradation process of the organic degradation material under different conditions. The change of the material in time and space and the generation condition of degradation products can be known through simulating the degradation process, and the migration and diffusion rules of the material in different media can be researched through diffusion path analysis, so that a basis is provided for further understanding the behavior of the material in the environment. The propagation mode and the influence range of the material in the environment can be known by analyzing the diffusion path, the spatial distribution characteristics of the organic degradation material in the environment can be quantitatively described by constructing a distribution model, the basis is provided for environmental risk assessment and management, and in the step, the distribution model of the organic degradation material is constructed by utilizing the diffusion path analysis data. The model can comprise the distribution condition of materials in different media and the change trend of the materials along with time, the behavior characteristics and the influence of the materials in the environment can be revealed by analyzing the distribution rule of the materials, a scientific basis is provided for environment management and management, and the method involves quantitatively analyzing the distribution model of the organic degradation materials and researching the distribution rule of the organic degradation materials in the environment. By analyzing the distribution rule, the service life, migration path and risk area of the material can be known, and guidance is provided for environmental protection and treatment.

Preferably, step S1 comprises the steps of:

Step S11: acquiring data of an organic degradation material;

step S12: classifying the organic degradation material data to obtain organic degradation material type data;

Step S13: and carrying out material chemical structure analysis on the organic degradation material data according to the organic degradation material type data to obtain the organic degradation material chemical structure data.

By acquiring the data of the organic degradation materials, the invention can build a comprehensive material library which contains information of various organic degradation materials and aims to collect basic data of the organic degradation materials, such as components, characteristics, sources and the like of the organic degradation materials. Such data collection helps to build a comprehensive materials database, providing a basis for subsequent analysis and research; the data can be better organized and managed by classifying the organic degradation material, so that the data is easier to understand and apply, and in this step, the collected organic degradation material data is classified according to the types of the organic degradation material data. Such classification can be based on the source, composition, use, etc. of the material, and can help to effectively organize and manage the data; the composition and the properties of the organic degradation material can be deeply understood by analyzing the chemical structure of the organic degradation material, and a basis is provided for subsequent application and research. The structural analysis can help determine important information such as molecular composition, bonding mode and the like of materials, and provides a basis for further research and application.

Preferably, step S2 comprises the steps of:

Step S21: performing environmental sensitivity analysis according to the chemical structure data of the organic degradation material to obtain material environmental sensitivity data; performing environmental simulation limiting based on the material environmental sensitivity data to obtain environmental simulation limiting data;

step S22: carrying out material structure molecule group analysis on the chemical structure data of the organic degradation material to obtain material structure molecule group data; calculating the theoretical degradation rate according to the material structure molecule data to obtain theoretical degradation rate data;

Step S23: carrying out environmental degradation potential evaluation on the material structure molecule data according to the environmental simulation limiting data to obtain material environmental degradation potential data;

Step S24: and carrying out environmental factor compensation on the theoretical degradation rate data according to the material environmental degradation potential data to obtain the material degradation rate data.

The invention determines the sensitivity degree of the organic degradation material to the environment by analyzing the chemical structure of the organic degradation material. This helps identify materials that are more vulnerable to particular environmental conditions, provides an understanding of the environmental challenges that the materials face in practical applications, and based on environmental sensitivity data, environmental simulation definitions are made to simulate the behavior of the materials under particular environmental conditions. Such data can be used to predict the performance and stability of a material in an actual environment, provide targeted information for material design and selection, and determine the type and number of its molecular groups by analyzing the chemical structure of the organic degradation material. The method is helpful for understanding the basic structural characteristics of the material, provides a basis for the subsequent degradation rate calculation, and utilizes the molecular data of the material structure to calculate the theoretical degradation rate. These rate data can be used to predict the degradation rate of a material in a natural environment, provide important information for assessing its sustainability and environmental friendliness, and utilize environmental simulation definition data to assess the structural molecule groups of the material to determine the degradation potential of the material in a simulated environment. This provides insight into the long-term stability of the material under specific environmental conditions, and with the material environmental degradation potential data, the theoretical degradation rate is adjusted to take into account influencing factors in the actual environment. Such data helps to more accurately predict the degradation rate of the material in actual use, providing a reliable reference for development and application of sustainable materials.

Preferably, step S23 comprises the steps of:

Step S231: extracting environmental influence elements from the environmental simulation limiting data to obtain environmental influence element data, wherein the environmental influence element data comprises environmental temperature data and microorganism activity data;

Step S232: performing temperature gradient change analysis on the environmental temperature data to obtain environmental temperature gradient change data; performing temperature change amplitude evaluation according to the environmental temperature gradient change data to obtain environmental temperature change amplitude data;

step S233: performing microbial activity evaluation on the microbial activity data according to the environmental temperature change amplitude data to obtain microbial activity evaluation data;

Step S234: carrying out degradation half-life analysis on the molecular group data of the material structure based on the environmental temperature change amplitude data and the microbial activity evaluation data to obtain the molecular group degradation half-life data;

step S235: carrying out degradation activity index calculation on the molecular degradation half-life data by using a degradation activity calculation formula to obtain a molecular degradation activity index;

step S236: and carrying out environmental degradation potential evaluation on the molecular group data of the material structure according to the molecular group degradation half-life data and the molecular degradation activity index to obtain the environmental degradation potential data of the material.

The environmental impact element extraction stage of the invention utilizes environmental simulation definition data from which environmental temperature data and microbial activity data are extracted. These data are necessary to assess the degradation potential of a material under specific environmental conditions. The ambient temperature data provides a time series of ambient temperatures so that subsequent analysis can take into account the effects of temperature changes. The microbial activity data reflects the activity level of the microorganisms in the environment and is important for the degradation process of the organic matters. Analysis of temperature gradient changes and evaluation of temperature change magnitudes are helpful in understanding the temperature change patterns in the environment. These data reveal the frequency and magnitude of temperature changes, which are critical to predicting the degradation rate of a material under different environmental conditions. For example, a larger temperature variation amplitude results in a faster chemical reaction rate, thereby accelerating the degradation process of the material. The microbial activity evaluation stage utilizes the environmental temperature change amplitude data to evaluate the microbial activity. This evaluation provides information about the biochemical reaction rates of the microorganisms under different temperature conditions. This is critical to predicting the rate and efficiency of the organic degradation process in which the microorganisms are involved. The degradation half-life analysis of the material structural molecule group is carried out according to the environmental temperature change amplitude data and the microbial activity evaluation data. Such analysis can predict the degradation rate of different molecular groups under specific environmental conditions, thereby providing a time scale for the material degradation process. And (3) calculating the degradation activity index of the molecular degradation half-life data by using a degradation activity calculation formula. The index considers the influence of environmental temperature change, microbial activity and other factors on the degradation rate, and provides comprehensive evaluation of the degradation activity of the material structural molecule groups.

Preferably, the degradation half-life analysis of the material structural molecule data comprises the steps of:

performing associated coupling analysis on the microbial activity evaluation data based on the environmental temperature change amplitude data to obtain temperature coupled microbial activity data;

Performing multiple regression analysis on the temperature-coupled microbial activity data to obtain multiple-coupled activity analysis data;

Calculating the influence rate of the molecular group structure on the molecular group data of the material structure according to the multi-element coupling activity analysis data to obtain the influence rate data of the molecular group structure;

And carrying out degradation half-life analysis on the molecular group data of the material structure according to the multi-element coupling activity analysis data and the molecular group structure influence rate data to obtain the molecular group degradation half-life data.

According to the invention, the influence degree of temperature change on the microbial activity can be revealed by performing the correlation coupling analysis on the environmental temperature change amplitude data and the microbial activity evaluation data. This helps to understand the pattern of change in the rate of degradation of the material by the microorganism under different temperature conditions. For example, an increase in temperature increases the activity of microorganisms, thereby accelerating the degradation process of the material. By performing multiple regression analysis on the temperature coupled microbial activity data, complex relationships between multiple variables can be identified, including environmental temperature changes and the effects of microbial activity on material degradation. The analysis can more comprehensively consider various factors influencing the degradation of the material, and provides a more accurate basis for the subsequent analysis. Based on the multielement coupling activity analysis data, the structure influence rate of the molecular groups of different material structures can be calculated. The method considers the influence of environmental temperature change, microbial activity and other factors on the degradation rate of different molecular groups, and provides the prediction of the degradation rate of the molecular groups with different structures. And finally, carrying out degradation half-life analysis on the molecular group data of the material structure by utilizing the multi-coupling activity analysis data and the molecular group structure influence rate data. This step enables prediction of the degradation rate of different molecular groups under specific environmental conditions and further extrapolates the overall degradation rate of the material. This is critical to assess the stability and durability of the material in a practical environment.

Preferably, the degradation activity calculation formula in step S235 is as follows:

；

In the method, in the process of the invention, The resulting value representing the molecular degradation activity index,Represents a natural constant of the natural product,Represents the average value of the molecular degradation rate,Represents the molecular half-life time interval in the molecular group degradation half-life data,Represents the influence coefficient of the microbial activity,The degradation time value is indicated as a value of degradation time,The coefficient of the amplitude of the temperature change is represented,The number of the samples is expressed as a Miq constant,And the error adjustment value of the degradation activity calculation formula is represented.

The invention constructs a degradation activity calculation formula by inquiring related technical literature, and the formula fully considers natural constantsAbout 2.71828, which appears in the definition of the exponential function, is used to calculate the value of the exponential function, in this formula,Representing an index term, wherein the part in the root is taken as the base of the index after being squared; average molecular degradation rate valueThis parameter represents the average degradation rate of the molecule, greaterThe value means that the molecule degrades faster and therefore higher when the liveness index is calculatedValues will lead to higher degradation liveness; molecular half-life time interval in molecular group degradation half-life data，The parameters define the time interval of the molecular degradation half-life. Different molecules degrade in different time intervals, and thereforeCan help determine the accuracy of the degradation liveness index; factor of influence of microbial ActivityThis parameter indicates a greater degree of influence of microbial activity on molecular degradationThe value indicates that the microbial activity has stronger promotion effect on degradation, so that the activity index is calculated to be largerValues will lead to higher degradation liveness; degradation time valueLonger degradation times will lead to more degradation occurring and therefore greater in calculating the liveness indexValues will lead to higher degradation liveness; coefficient of temperature variation amplitudeThe temperature has obvious influence on the molecular degradation activity, and is largerThe value represents a larger temperature variation amplitude, thereby having a more significant effect on the degradation liveness index; miq constantThe method is used for adjusting the calculation of the degradation activity index, plays a role in balancing in the whole formula, and ensures that the contribution of each parameter to the degradation activity is properly weighed in the calculation; error adjustment value of degradation liveness calculation formulaThe parameter is used for carrying out error adjustment on the degradation activity calculation formula. It can be used to correct errors present in the formula to improve the accuracy of the calculation result.

Preferably, step S3 comprises the steps of:

Step S31: carrying out dynamic behavior simulation on the organic degradation material data according to the material degradation rate data and the material environmental degradation potential data to obtain degradation material dynamic behavior simulation data;

Step S32: performing diffusion path analysis of different media on the dynamic behavior simulation data of the degradation material according to the environment simulation limiting data to obtain diffusion path analysis data;

Step S33: performing diffusion range calculation on diffusion path analysis data to obtain diffusion range data;

step S34: and constructing an organic degradation material distribution model according to the diffusion path analysis data and the diffusion range data to obtain the organic degradation material distribution model.

The dynamic behavior simulation of the organic degradation material can be performed by combining the material degradation rate data and the material environmental degradation potential data. Such simulation can simulate the degradation process of the material under different environmental conditions, providing data on the evolution of the material degradation behavior over time. This is critical to evaluate the performance and durability of the material in actual use; by using environment simulation definition data to conduct diffusion path analysis on degradation material dynamic behavior simulation data, diffusion paths of material degradation products in different media can be revealed. This helps to understand the way and way material degradation products travel in the environment, predicting their extent of impact on the environment; by performing diffusion range calculations on diffusion path analysis data, the diffusion range of degradation products in the environment can be determined. This provides information about the extent and extent of propagation of degradation products in the environment, helping to assess the extent of impact of the material degradation process on the surrounding environment; based on the diffusion path analysis data and the diffusion range data, a distribution model of the organic degradation material can be constructed. This model may provide information about the spatial distribution of the degradation products in the environment, thereby helping to determine the primary aggregation area and distribution characteristics of the degradation products in the environment. This is critical to the formulation of environmental management policies and safeguards.

Preferably, S32 comprises the steps of:

step S321: performing medium type extraction processing on the environment simulation limiting data to obtain medium type data; performing medium characteristic analysis according to the medium type data to obtain medium characteristic data;

Step S322: performing medium interaction influence effect analysis on the dynamic behavior simulation data of the degradation material according to the medium characteristic data to obtain medium interaction influence effect data;

step S323: performing degradation material diffusion dynamics analysis on degradation material dynamic behavior simulation data based on the medium interaction influence effect data to obtain degradation material diffusion dynamics data;

Step S324: and carrying out diffusion path analysis of different media on the dynamic behavior simulation data of the degradation material according to the media interaction effect data and the diffusion dynamics data of the degradation material to obtain diffusion path analysis data.

According to the invention, detailed data about different media types and characteristics can be obtained by extracting the media types from the environment simulation limiting data and analyzing the media characteristics. Such data includes information about the chemical composition, physical properties of the medium, the extent of impact on the degraded material, and the like. This helps to better understand the type and nature of the media in the environment, providing a basis for subsequent analysis; and carrying out medium interaction influence effect analysis on the dynamic behavior simulation data of the degradation material by utilizing the medium characteristic data. Such analysis may reveal the extent of influence of different media on the degradation behavior of the degraded material and identify the interaction effects between the media and the material. This helps to understand the differences in behavior of the materials in different media and provides basis for subsequent analysis; and carrying out diffusion dynamics analysis on the dynamic behavior simulation data of the degradation material based on the medium interaction influence effect data. Such analysis may investigate the diffusion characteristics and kinetic behavior of the degraded material in different media, including diffusion rate, diffusion path, etc. This helps to understand the propagation process and mechanism of degradation products in the environment; and carrying out diffusion path analysis of different media on the dynamic behavior simulation data of the degradation material according to the media interaction effect data and the degradation material diffusion dynamics data. Such analysis may reveal propagation paths and behavioral characteristics of degradation products in different media, providing important information for assessing the behavior of materials under different environmental conditions.

Preferably, step S34 includes the steps of:

Step S341: performing path diffusion distribution range mapping on the diffusion range data according to the diffusion path analysis data to obtain path diffusion distribution range data;

Step S342: constructing a path distribution structure tree for the path diffusion distribution range data to obtain the path distribution structure tree; carrying out path diffusion outlier calculation on the path diffusion distribution range data according to the path distribution structure tree to obtain path diffusion outlier data;

step S343: performing structure optimization sorting on the path distribution structure tree according to the path diffusion outlier data to obtain a path distribution structure optimization sorting tree;

step S344: and constructing an organic degradation material distribution model of the path distribution structure optimization ordering tree by using a random forest algorithm to obtain the organic degradation material distribution model.

The invention can obtain the data of the path diffusion distribution range by processing the diffusion path analysis data. These data reflect the extent and distribution of the diffusion of the organic degradation material in the environment. This helps to determine the propagation path and extent of the organic material in the environment, providing a basis for subsequent analysis; by constructing a path distribution structure tree and performing outlier calculation on path spread distribution range data, points having abnormal behavior or abnormal distribution in a propagation path can be identified. These outliers are hot spot areas in the environment or special areas related to other factors. By identifying these points, the distribution of the organic degradation material in the environment and the impact thereof can be better understood; and carrying out structure optimization sequencing on the path distribution structure tree according to the path diffusion outlier data. This step can help to sort the data and identify paths or nodes of importance, so as to better understand the propagation path and distribution of the organic degradation material in the environment; and constructing an organic degradation material distribution model for the path distribution structure optimization ordering tree by utilizing a random forest algorithm. The model can more accurately predict the distribution of the organic degradation material in the environment and provides a data-based tool for evaluating the propagation and distribution of the organic material under different environmental conditions.

Preferably, the present invention also provides an organic degradation material distribution model construction system for performing the organic degradation material distribution model construction method as described above, the organic degradation material distribution model construction system comprising:

the organic degradation material chemical structure analysis module is used for collecting organic degradation material data through a web crawler technology to obtain organic degradation material data; carrying out material chemical structure analysis on the organic degradation material data to obtain the organic degradation material chemical structure data;

the organic degradation material environment influence analysis module is used for carrying out environment simulation limiting according to the chemical structure data of the organic degradation material to obtain environment simulation limiting data; carrying out material structure molecule group analysis on the chemical structure data of the organic degradation material to obtain material structure molecule group data; carrying out environmental degradation potential evaluation on the material structure molecule data according to the environmental simulation limiting data to obtain material environmental degradation potential data; performing environmental factor compensation according to the material environmental degradation potential data to obtain material degradation rate data;

The organic degradation material distribution model construction module is used for carrying out degradation material dynamic behavior simulation on the organic degradation material data to obtain degradation material dynamic behavior simulation data; performing diffusion path analysis of different media on the dynamic behavior simulation data of the degradation material to obtain diffusion path analysis data; constructing an organic degradation material distribution model according to the diffusion path analysis data to obtain the organic degradation material distribution model;

And the organic degradation material distribution rule analysis module is used for carrying out organic degradation material distribution rule analysis according to the organic degradation material distribution model to obtain organic degradation material distribution rule data.

The invention has the beneficial effects that the organic degradation material distribution model construction method is an optimization treatment for the traditional organic degradation material distribution model construction method, solves the problems of inaccurate analysis of the organic degradation material diffusion path and inaccurate identification of the organic degradation material distribution rule in the traditional organic degradation material distribution model construction method, and can accurately analyze the organic degradation material diffusion path and accurately identify the organic degradation material distribution rule.

Drawings

FIG. 1 is a schematic flow chart of the steps of a method for constructing a distribution model of an organic degradation material;

FIG. 2 is a flowchart illustrating the detailed implementation of step S2 in FIG. 1;

FIG. 3 is a detailed flowchart illustrating the implementation of step S23 in FIG. 2;

The achievement of the objects, functional features and advantages of the present invention will be further described with reference to the accompanying drawings, in conjunction with the embodiments.

Detailed Description

The following is a clear and complete description of the technical method of the present patent in conjunction with the accompanying drawings, and it is evident that the described embodiments are some, but not all, embodiments of the present invention. All other embodiments, which can be made by those skilled in the art based on the embodiments of the present invention without making any inventive effort, are intended to fall within the scope of the present invention.

Furthermore, the drawings are merely schematic illustrations of the present invention and are not necessarily drawn to scale. The same reference numerals in the drawings denote the same or similar parts, and thus a repetitive description thereof will be omitted. Some of the block diagrams shown in the figures are functional entities and do not necessarily correspond to physically or logically separate entities. The functional entities may be implemented in software or in one or more hardware modules or integrated circuits or in different networks and/or processor methods and/or microcontroller methods.

It will be understood that, although the terms "first," "second," etc. may be used herein to describe various elements, these elements should not be limited by these terms. These terms are only used to distinguish one element from another element. For example, a first element could be termed a second element, and, similarly, a second element could be termed a first element, without departing from the scope of example embodiments. The term "and/or" as used herein includes any and all combinations of one or more of the associated listed items.

To achieve the above object, please refer to fig. 1 to 3, a method for constructing a distribution model of an organic degradation material, the method comprising the following steps:

In the embodiment of the present invention, as described with reference to fig. 1, the step flow diagram of a method for constructing an organic degradation material distribution model of the present invention is provided, and in this example, the method for constructing an organic degradation material distribution model includes the following steps:

In the embodiment of the invention, a large amount of experimental data of the organic degradation materials are stored in the organic degradation material database through a predesigned organic degradation material database, and the experimental data are obtained and marked as organic degradation material data so as to obtain the organic degradation material data; and (3) carrying out chemical structure analysis on the collected organic degradation material data, analyzing and explaining the data by utilizing chemical information software or a database, determining information such as a basic structure, a functional group, a position and a bonding type of a molecule and the like according to a chemical formula and structural description, and integrating the data obtained by chemical structure analysis to obtain the chemical structure data of the organic degradation material.

According to the embodiment of the invention, according to the obtained chemical structure data of the organic degradable material, proper environmental simulation conditions are selected, including environmental factors such as temperature, humidity and illumination, the time range of a simulation environment is determined, for example, the short-term or long-term degradation condition is simulated, the chemical structure of the organic degradable material is analyzed in more detail, including specific groups and types and numbers of functional groups in molecules, molecular group information in the material structure is extracted by utilizing chemical information software or a database, the obtained environmental simulation limiting data is combined with the material structure molecular group data to evaluate the environmental degradation potential, the influence of the environmental factors on the material is considered, the degradation degree of the material under the specific environmental conditions is predicted, the environmental simulation limiting data and the material structure molecular group data are summarized, the degradation potential data of the material under various environmental conditions is obtained, the influence of the environmental factors on the degradation rate is considered, and the compensation adjustment of the environmental factors is performed. After the environmental factors are compensated, the final material degradation rate data is obtained, which relates to the influence of temperature on degradation rate and the influence of humidity.

in the embodiment of the invention, a proper mathematical model or calculation method is selected for simulating the dynamic behavior of the organic degradation material, including a reaction dynamics model and a diffusion-reaction model, parameters required by the model are set according to the requirements of the simulation model, including but not limited to initial conditions, reaction rate constants and diffusion coefficients, parameter setting is required to be estimated or determined according to experimental data or literature reports, the selected simulation model and the set parameters are utilized for carrying out numerical simulation on the dynamic behavior of the organic degradation material, the degradation process of the simulation material under different time and space scales is carried out through numerical calculation, the data obtained through simulation is processed and analyzed, extraction of time sequence data and statistics of space distribution data can be carried out by utilizing data processing software or programming language, so that subsequent analysis and modeling can be carried out, diffusion path analysis of the organic degradation material in different media is carried out based on the simulation data, the diffusion behavior of the analysis material in the media, including diffusion rate and diffusion path change, the data obtained through diffusion path analysis are processed and arranged, key information such as diffusion flux and diffusion path length and direction are extracted, the degradation process of the simulation material under different time and space dimensions is carried out, the statistical distribution model can be constructed in the statistical distribution model, the organic degradation material can be constructed, and the statistical distribution material can be obtained in the statistical distribution model, and the situation is described in the method.

In the embodiment of the invention, input parameters of an organic degradation material distribution model are confirmed, including simulation environmental conditions, initial conditions and medium characteristics, the organic degradation material distribution model is operated, the simulation data or experimental data obtained before are used as input, the distribution situation of the material in different mediums is simulated, corresponding distribution data are generated, distribution rule data of the organic degradation material are extracted from simulation results, including but not limited to information on concentration distribution, spatial distribution and time evolution, data extraction and arrangement are carried out by using a data processing tool or programming language, the extracted distribution rule data are analyzed in detail, the distribution rule of the material in the mediums is discussed, the influence of different factors on the distribution rule, such as the medium characteristics and the change of the environmental conditions, the trend and the mode of the organic degradation material which appears under different conditions, such as the evolution trend in time and the distribution mode in space are identified, trend analysis is carried out on the change of the distribution rule, and the periodicity or trend change existing is found out, so as to obtain the organic degradation material distribution rule data.

Preferably, step S1 comprises the steps of:

Step S11: acquiring data of an organic degradation material;

In the embodiment of the invention, a large amount of experimental data of the organic degradation materials are stored in the organic degradation material database through a predesigned organic degradation material database, and the experimental data are obtained and marked as organic degradation material data so as to obtain the organic degradation material data; the method comprises the steps of establishing a classification standard, classifying the organic degradation materials according to chemical components, sources, purposes and the like, classifying the collected organic degradation material data, ensuring that each material is accurately classified, generating an organic degradation material type data table, recording specific materials contained in each type, carrying out chemical structure analysis on samples in each organic degradation material type, acquiring detailed chemical structure information of the organic degradation materials by means of experimental methods, calculation chemical tools or literature reviews and the like, recording and storing the chemical structure data of the organic degradation materials, including molecular formulas and structural formulas, and obtaining the chemical structure data of the organic degradation materials.

Preferably, step S2 comprises the steps of:

As an example of the present invention, referring to fig. 2, the step S2 in this example includes:

in the embodiment of the invention, the obtained chemical structure data of the organic degradation material is utilized to identify the structural characteristics affecting environmental sensitivity, establish the standard or index of environmental sensitivity evaluation, such as sensitivity to environmental media such as water, soil, atmosphere and the like, carry out environmental sensitivity analysis on each organic degradation material to generate corresponding environmental sensitivity data, formulate rules and conditions for environmental simulation limitation based on the material environmental sensitivity data so as to simulate the behavior of the material under different environmental conditions, limit factors including temperature, humidity and pH value, carry out simulation limitation and generate corresponding environmental simulation limitation data.

In the embodiment of the invention, chemical structure data of organic degradation materials are utilized to carry out structural analysis, key structural molecule groups are identified and extracted, a chemical information tool or software is used to carry out molecular group analysis on the structure of each material so as to obtain structural molecule group data, a calculation model of theoretical degradation rate is established based on the identified structural molecule group data, an appropriate chemical reaction rate equation is selected, the reaction path and influencing factors under environmental conditions are considered, and the calculation tool or software is utilized to carry out theoretical degradation rate calculation on each organic degradation material so as to generate corresponding theoretical degradation rate data.

In the embodiment of the invention, the obtained environmental simulation limiting data and material structure molecule group data are utilized to establish an environmental degradation potential evaluation model, environmental sensitivity data and structure molecule group data are combined, the influence of various environmental factors on material degradation is considered, and the model or algorithm is used for evaluating the environmental degradation potential of each organic degradation material to generate corresponding material environmental degradation potential data.

In the embodiment of the invention, the obtained material environmental degradation potential data is utilized to establish an environmental factor compensation model so as to consider the influence of different environmental conditions on the theoretical degradation rate, determine the compensation factor, consider the factors such as temperature, humidity, pH value and the like, calculate by combining the environmental degradation potential data, and adjust the theoretical degradation rate data by utilizing the compensation model to obtain the material degradation rate data which is more in line with the actual environmental conditions.

Preferably, step S23 comprises the steps of:

As an example of the present invention, referring to fig. 3, the step S23 in this example includes:

In the embodiment of the invention, environmental simulation limiting data are collected, the data comprise measured values of environmental factors such as environmental temperature, humidity, pH value and the like, meanwhile, the data change conditions of different time periods and places are required to be considered, the collected environmental simulation limiting data are analyzed to extract environmental influence elements, the environmental influence elements mainly comprise environmental temperature data and microorganism activity data, and key indexes and characteristics of the environmental temperature and the microorganism activity are determined through data processing and statistical analysis to obtain the environmental influence element data.

In the embodiment of the invention, the collected environmental temperature data is subjected to temperature gradient change analysis, including methods such as time sequence analysis, trend analysis and the like, the characteristics such as temperature change trend, periodicity, seasonality and the like are determined, and the existing abnormal conditions are determined, the change amplitude of the environmental temperature is estimated based on the temperature gradient change data, and the environmental temperature can be estimated by using a statistical method or model, and factors such as the frequency, the amplitude, the duration and the like of the temperature change are considered to determine the change condition of the environmental temperature, so that the environmental temperature change amplitude data is obtained.

In the embodiment of the invention, microbial activity evaluation is performed by utilizing microbial activity data in environmental simulation limiting data and combining environmental temperature change amplitude data, response characteristics of different microbial types and sensitivity of the microbial types to environmental temperature change are considered, microbial activity evaluation data is calculated by adopting a proper microbial activity model or a calculation method based on the collected environmental temperature change amplitude data, and activity levels of microorganisms under different temperature conditions are determined by considering the sharp increase or the weakening of microbial activity, so that the microbial activity evaluation data is obtained.

in the embodiment of the invention, the degradation half-life of the molecular group data of the material structure is analyzed by combining the environmental temperature change amplitude data and the microbial activity evaluation data, and the degradation half-life of the molecular group under specific environmental conditions is deduced by using a proper analysis method, such as a dynamics model or a statistical method, so as to obtain the degradation half-life data of the molecular group.

In the embodiment of the invention, the degradation activity calculation formula is utilized to convert the obtained molecular group degradation half-life data into the degradation activity index, so that the selected calculation formula can comprehensively consider the influence of temperature change and microbial activity on the degradation process.

In the embodiment of the invention, the molecular group degradation half-life data and the molecular degradation activity index are combined, the environmental degradation potential of the molecular group data of the material structure is evaluated, and a model or a method for balancing different factors is used to obtain the degradation potential of the material in a specific environment.

In the embodiment of the invention, environmental temperature change amplitude data is collected and is subjected to correlation analysis with microbial activity evaluation data to determine the correlation between temperature and microbial activity, including nonlinear relation, a multiple regression method is utilized to model the correlation between temperature and microbial activity, collinearity and interaction are considered, the obtained multiple coupling activity analysis data is utilized to calculate the influence rate of molecular group structure on material structure molecular group data, the influence of different group structures on degradation rate is considered, a chemical kinetics model or other related methods are needed to be used, the multiple coupling activity analysis data and the molecular group structure influence rate data are combined, the degradation half-life analysis is carried out on the material structure molecular group data, and the degradation half-life of a molecular group under specific environmental conditions is deduced, so as to obtain the degradation half-life data of the molecular group.

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Preferably, step S3 comprises the steps of:

In the embodiment of the invention, degradation rate data and material environment degradation potential data of an organic degradation material are collected, a dynamic behavior simulation model of the organic degradation material is established Based on the collected data, and the degradation rate, environment conditions and other factors are considered, and a proper mathematical model or simulation method, such as a differential equation model or an Agent-Based model, is selected, and a simulation model is operated to simulate the dynamic behavior of the organic degradation material under different environment conditions, and the degradation process is gradually simulated by taking time factors and space factors into consideration, so that the dynamic behavior simulation data of the degradation material is output, including the change of the degradation rate along with time and the degradation conditions under different environment conditions; collecting environment simulation limiting data, including medium characteristics, flow speed and temperature, analyzing diffusion paths under different mediums based on degradation material dynamic behavior simulation data, simulating propagation paths of degradation products in the environment by considering medium characteristics and fluid movements, wherein the mediums refer to different mediums in the environment air, sorting and counting diffusion path analysis data, determining the influence range of each diffusion path, calculating the diffusion range according to the characteristics of the diffusion paths and the environment conditions, namely the propagation range of the degradation products in the environment, combining the diffusion path analysis data and the diffusion range data, constructing a distribution model of the organic degradation materials in the environment, considering the distribution situation of the degradation products in the space, constructing a corresponding mathematical model or space statistical model, verifying the constructed distribution model, comparing with actual observation data, and adjusting model parameters to improve the accuracy and reliability of the model, wherein the model parameters comprise parameters reflecting degradation rate, environment condition related parameters, and adjusting the medium characteristic parameters and diffusion path related parameters, so that the accuracy degree of model prediction is closer to the real condition, and the distribution model of the organic degradation materials is obtained.

Preferably, S32 comprises the steps of:

According to the embodiment of the invention, medium related information including medium type and characteristics is extracted from environment simulation limiting data, the extracted data is arranged and classified to obtain medium type data, characteristics of various mediums including but not limited to permeability, density, porosity and the like are analyzed based on the medium type data, the interaction between the medium and the dynamic behavior of the degradation material is analyzed according to the medium characteristic data, the influence of adsorption, permeation, dissolution and the like of the medium on the behavior of the degradation material is considered, the diffusion dynamics of the degradation material in different mediums is analyzed by utilizing the medium interaction effect data, the influence of the medium characteristic on the diffusion rate of the degradation material such as porosity and permeability is considered, the medium interaction effect data and the degradation material diffusion dynamics data are comprehensively considered, the diffusion paths of the degradation material in different mediums including diffusion directions and rates are analyzed, and diffusion path analysis data is obtained.

Preferably, step S34 includes the steps of:

In the embodiment of the invention, diffusion path analysis data comprising information such as a starting point, an end point, path length and the like are collected, diffusion range data are analyzed, the range and the distribution condition of path diffusion are determined, and the path diffusion range data obtained by analysis are mapped onto a corresponding space or map so as to carry out subsequent visualization or further analysis; and (3) by analyzing the path diffusion distribution range data, establishing a path distribution structure tree. The structure tree comprises nodes and edges, represents the organization structure of path diffusion, and determines the relation between the root node and the child node of the tree so as to reflect the hierarchical structure of the path diffusion; on the basis of a path distribution structure tree, outliers in path diffusion data, namely data points with obvious differences with other data points, are analyzed, an appropriate outlier detection algorithm, such as an algorithm based on a statistical method or distance measurement, is used for identifying outliers in path diffusion, the path distribution structure tree is adjusted according to the path diffusion outlier data so as to optimize the structure of the tree, a rearrangement node or a subtree is involved, a connection relation is adjusted so as to better reflect the characteristics of the path diffusion, training data required by an organic degradation material distribution model is collected, the characteristics of the path distribution structure optimization ordering tree and the corresponding organic degradation material distribution situation are included, and a random forest algorithm or other machine learning methods are used for constructing the organic degradation material distribution model to obtain the organic degradation material distribution model.

The invention can obtain the data of the path diffusion distribution range by processing the diffusion path analysis data. These data reflect the extent and distribution of the diffusion of the organic degradation material in the environment. This helps to determine the propagation path and extent of the organic material in the environment, providing a basis for subsequent analysis; by constructing a path distribution structure tree and performing outlier calculation on path spread distribution range data, points having abnormal behavior or abnormal distribution in a propagation path can be identified. These outliers are hot spot areas in the environment or special areas related to other factors. By identifying these points, the distribution and impact of the organic degradation material in the environment can be better understood; and carrying out structure optimization sequencing on the path distribution structure tree according to the path diffusion outlier data. This step can help to sort the data and identify paths or nodes of importance, so as to better understand the propagation path and distribution of the organic degradation material in the environment; and constructing an organic degradation material distribution model for the path distribution structure optimization ordering tree by utilizing a random forest algorithm. The model can more accurately predict the distribution of the organic degradation material in the environment and provides a data-based tool for evaluating the propagation and distribution of the organic material under different environmental conditions.

The present embodiments are, therefore, to be considered in all respects as illustrative and not restrictive, the scope of the invention being indicated by the appended claims rather than by the foregoing description, and all changes which come within the meaning and range of equivalency of the claims are therefore intended to be embraced therein.

The foregoing is only a specific embodiment of the invention to enable those skilled in the art to understand or practice the invention. Various modifications to these embodiments will be readily apparent to those skilled in the art, and the generic principles defined herein may be applied to other embodiments without departing from the spirit or scope of the invention. Thus, the present invention is not intended to be limited to the embodiments shown herein but is to be accorded the widest scope consistent with the principles and novel features disclosed herein.

Claims

1. The organic degradation material distribution model construction method is characterized by comprising the following steps of:

step S1: acquiring data of an organic degradation material; carrying out material chemical structure analysis on the organic degradation material data to obtain the organic degradation material chemical structure data; wherein, step S1 includes:

Step S11: acquiring data of an organic degradation material;

Step S13: carrying out material chemical structure analysis on the organic degradation material data according to the organic degradation material type data to obtain the organic degradation material chemical structure data;

Step S2: performing environment simulation limiting according to the chemical structure data of the organic degradation material to obtain environment simulation limiting data; carrying out material structure molecule group analysis on the chemical structure data of the organic degradation material to obtain material structure molecule group data; carrying out environmental degradation potential evaluation on the material structure molecule data according to the environmental simulation limiting data to obtain material environmental degradation potential data; performing environmental factor compensation according to the material environmental degradation potential data to obtain material degradation rate data; wherein, step S2 includes:

step S23: carrying out environmental degradation potential evaluation on the material structure molecule data according to the environmental simulation limiting data to obtain material environmental degradation potential data; wherein, step S23 includes:

step S234: carrying out degradation half-life analysis on the molecular group data of the material structure based on the environmental temperature change amplitude data and the microbial activity evaluation data to obtain the molecular group degradation half-life data; wherein, the degradation half-life analysis of the material structural molecule data comprises the following steps:

Carrying out degradation half-life analysis on the molecular group data of the material structure according to the multi-element coupling activity analysis data and the molecular group structure influence rate data to obtain molecular group degradation half-life data;

step S235: carrying out degradation activity index calculation on the molecular degradation half-life data by using a degradation activity calculation formula to obtain a molecular degradation activity index; the degradation activity calculation formula is as follows:

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In the method, in the process of the invention, The resulting value representing the molecular degradation activity index,Represents a natural constant of the natural product,Represents the average value of the molecular degradation rate,Represents the molecular half-life time interval in the molecular group degradation half-life data,Represents the influence coefficient of the microbial activity,The degradation time value is indicated as a value of degradation time,The coefficient of the amplitude of the temperature change is represented,The number of the samples is expressed as a Miq constant,An error adjustment value representing a degradation activity calculation formula;

Step S236: carrying out environmental degradation potential evaluation on the molecular group data of the material structure according to the molecular group degradation half-life data and the molecular degradation activity index to obtain material environmental degradation potential data;

Step S24: according to the material environmental degradation potential data, carrying out environmental factor compensation on the theoretical degradation rate data to obtain material degradation rate data;

Step S3: performing dynamic behavior simulation on the organic degradation material data to obtain degradation material dynamic behavior simulation data; performing diffusion path analysis of different media on the dynamic behavior simulation data of the degradation material to obtain diffusion path analysis data; constructing an organic degradation material distribution model according to the diffusion path analysis data to obtain the organic degradation material distribution model; wherein, step S3 includes:

step S32: performing diffusion path analysis of different media on the dynamic behavior simulation data of the degradation material according to the environment simulation limiting data to obtain diffusion path analysis data; wherein, step S32 includes:

Step S324: performing diffusion path analysis of different media on the dynamic behavior simulation data of the degradation material according to the media interaction effect data and the diffusion dynamics data of the degradation material to obtain diffusion path analysis data;

Step S34: carrying out organic degradation material distribution model construction according to the diffusion path analysis data and the diffusion range data to obtain an organic degradation material distribution model; wherein, step S34 includes:

step S344: carrying out organic degradation material distribution model construction on the path distribution structure optimization ordering tree by utilizing a random forest algorithm to obtain an organic degradation material distribution model;

2. An organic degradation material distribution model construction system for performing the organic degradation material distribution model construction method according to claim 1, comprising:

The organic degradation material chemical structure analysis module is used for collecting organic degradation material data through a web crawler technology to obtain organic degradation material data; carrying out material chemical structure analysis on the organic degradation material data to obtain the organic degradation material chemical structure data; the chemical structure analysis module of the organic degradation material is used for:

Step S11: acquiring data of an organic degradation material;

The organic degradation material environment influence analysis module is used for carrying out environment simulation limiting according to the chemical structure data of the organic degradation material to obtain environment simulation limiting data; carrying out material structure molecule group analysis on the chemical structure data of the organic degradation material to obtain material structure molecule group data; carrying out environmental degradation potential evaluation on the material structure molecule data according to the environmental simulation limiting data to obtain material environmental degradation potential data; performing environmental factor compensation according to the material environmental degradation potential data to obtain material degradation rate data; the organic degradation material environment influence analysis module is used for:

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the organic degradation material distribution model construction module is used for carrying out degradation material dynamic behavior simulation on the organic degradation material data to obtain degradation material dynamic behavior simulation data; performing diffusion path analysis of different media on the dynamic behavior simulation data of the degradation material to obtain diffusion path analysis data; constructing an organic degradation material distribution model according to the diffusion path analysis data to obtain the organic degradation material distribution model; the organic degradation material distribution model building module is used for: