CN111341394B - Polymer heat-conducting material gene feedback system and application thereof - Google Patents
Polymer heat-conducting material gene feedback system and application thereof Download PDFInfo
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Abstract
The invention discloses a high polymer heat conducting material gene feedback system, which is based on the operation of a computer system and consists of the following interconnected and communicated functional modules: (1) a database of material properties; (2) an intelligent query module; (3) running a marking module; (4) recommending an application module. The invention also discloses a method for obtaining the scheme for preparing the high-molecular heat-conducting material by using the system, which specifically comprises the steps of preparing a multi-scale high-molecular multifunctional master batch, and obtaining the recommended raw materials and the scheme according to the weight percentage: 20-70% of various multi-scale filler molecules; 30-80% of high molecular thermoplastic resin. The invention provides a brand-new digital idea for new material design, and can widely meet the industrialized research and development and production of material genes in different fields.
Description
Technical Field
The invention mainly relates to the technical field of high-molecular heat-conducting composite materials, in particular to a high-molecular heat-conducting material gene feedback system and application thereof.
Background
Genes in the prior art are a basic concept in biology and are the basic genetic units that control biological traits. A particular biological trait corresponds to a particular gene segment or segments. And the gene can be self-replicated to ensure the basic characteristics of organisms, and can generate random unoriented 'mutations', so that the original driving force of organism evolution is provided.
The current new material development is mainly based on the scientific intuition of researchers and a large number of repeated "trial and error" experiments. In fact, some experiments can use existing efficient and accurate calculation tools, however, the accuracy of calculation simulation is still weak. Another factor limiting the material development cycle is the lack of collaboration and sharing of mutual data and the need for substantial improvement in material design technology from the research teams involved in discovery, development, performance optimization, system design and integration, product demonstration and popularization processes. At the present day of increasingly integrated and refined electronic devices, simple orthogonal analysis cannot meet the design requirements of new generation electronic devices, and a high-flux and intelligent design scheme becomes the direction of exploration. The eye light is directed to the biological field, and a material gene concept based on a high heat conduction polymer high polymer composite material is provided. Under the big data age, the powerful functions of computers also make this all possible. The combination of integrated material computing and computer technology, which recently appeared in the engineering field, has shown that the existing material development cycle can be shortened to 2-3 years from 20-30 years.
In the field of high-heat-conductivity composite materials, successful construction of a large number of heat-conducting passages often means guarantee of heat-conducting performance, so that the control of the heat-conducting performance of the material can be realized by controlling the types, the number and the structure of filler molecules. In addition, there is a need for electronic devices with multiple functions, which requires our knowledge and selection of an all-round analysis of a material in practical applications, which is exactly compatible with the concept of material genes. However, how to design a multi-scale polymer multifunctional master batch in a high heat conduction material, a series of product performance data parameters can be obtained after the multi-scale polymer multifunctional master batch is processed by a specific processing technology, and then a material gene feedback system capable of realizing high flux and intellectualization is designed by combining a computer technology, so that the design and performance of a material structure are more controllable, and considerable technical difficulty and challenges are provided, so that the system has not yet appeared.
Disclosure of Invention
Aiming at the defects in the prior art, the invention aims to provide an intelligent high-flux high-molecular heat-conducting material gene feedback system which is used for providing references for the design, processing and improvement of certain specific materials in actual production, greatly simplifying the workload, establishing a standardized database and improving the controllability and the accurate performance guidance of the materials.
The invention also aims at obtaining the preparation technical scheme of the high-molecular heat conduction scale high-molecular multifunctional master batch by applying the high-molecular heat conduction material gene feedback system.
The invention adopts the technical proposal for realizing the aim that:
the high polymer heat conducting material gene feedback system is characterized by comprising the following interconnected and communicated functional modules based on the operation of a computer system:
(1) The material performance database is used for recording performance gene data of the performance of the multifunctional polymer master batches with different combinations, structures and proportions under the set processing conditions;
(2) The intelligent query module is used for inputting 1-3 parameters which are required to be limited by the genetic design of the heat conducting material to be developed;
(3) The operation marking module is used for searching the material genes in the limiting requirements and the database, marking the material genes meeting the limiting requirements, and sequencing the summary and the condition coincidence degree of all marked material genes to obtain an alternative scheme;
(4) The recommendation application module is used for automatically feeding the material gene data of the adopted scheme back to the material performance database after the marking module is completed;
(5) The prediction analysis module is used for judging the feasibility of the novel material gene design scheme based on the comparison of the existing material genes in the database;
(6) And the simulation presumption module is used for recommending a scheme according to the possibility of simulation presumption of the similar material genes in the database when the data query of the existing system is invalid.
The prediction analysis module is used for realizing material selection guiding based on the intelligent query module: inputting 1-3 limiting conditions after selecting and guiding the selected materials, and carrying out predictive analysis on novel material genes by click prediction; for the material genes existing in the database, the system can directly locate the corresponding material gene data and feed back; for material genes that are not present in the database, the system will invoke a simulation speculation module to give predictions and feedback against similar material gene data.
The simulation presumption module returns to the performance selection guiding step in the intelligent query module when the system data query is invalid, and after inputting 1-3 limiting conditions, the simulation presumption analysis of the novel material genes is performed by click presumption; according to the required principle of special limiting conditions, alternative simulation is made by using material genes with similar principles in a database, and the speculative feedback with the highest possibility is given to form a reference scheme.
The material performance gene data comprise heat conductivity coefficient, tensile strength, hardness, toughness, wear resistance, electric conductivity, insulating property, dielectric constant, dielectric breakdown strength, electrostatic shielding effect and other functional parameters, or other material performance parameters which can be covered in practical application.
The intelligent inquiry module has two selection guides, namely a material selection guide and a performance selection guide; wherein material selection directors refer to the limiting requirement for the added multi-scale filler molecule or thermoplastic resin, where the limiting requirement is up to 3 in number; performance selection guidance refers to the limiting requirement of performance parameters required to be provided for material genetic design materials, and the limiting requirement amount is at most 3; the limiting requirement refers to the condition which is required to be met by the final material design proposal recommended by the system, and the recommended proposal can be obtained by clicking and inquiring after the corresponding guiding selection is determined.
The operation marking module specifically further comprises the following steps:
when the quantity of the limiting requirements is 1, marking the material meeting the limiting requirements as 1, marking the material not meeting the limiting requirements as 0, extracting all the data marked as 1 at the moment, and sequencing the data from high to low according to the degree of the compliance of the limiting requirements; when the limiting requirement number is 2, the material satisfying the limiting requirement one is marked as 1, and the material not satisfying the limiting requirement one is marked as 0; the material meeting the second limiting requirement is marked as 1, and the material not meeting the second limiting requirement is marked as 0; extracting all data marked 11, and sorting from high to low according to the degree of compliance of the first limiting requirement; when the limiting requirement number is 3, the material satisfying the limiting requirement one is marked as 1, and the material not satisfying the limiting requirement one is marked as 0; the material meeting the second limiting requirement is marked as 1, and the material not meeting the second limiting requirement is marked as 0; the material satisfying the third constraint is marked 1, and the material not satisfying the third constraint is marked 0; all data labeled 111 are extracted and ranked from high to low according to the degree of compliance of the first constraint.
The method for obtaining the scheme for preparing the high-molecular heat-conducting material by using the high-molecular heat-conducting material gene feedback system is specifically a method for preparing a multi-scale high-molecular multifunctional master batch, and is characterized by comprising the following steps of:
(1) Inputting raw material gene data of the multi-scale polymer multifunctional master batch to be prepared and each limiting condition into a gene feedback system, setting raw materials to be various multi-scale filler molecules and polymer thermoplastic resins, and obtaining a suitable mass percentage scheme of each raw material by the system according to the following process;
(2) Calculating a simulated formula by using the system through various filler molecules in the step (1), weighing raw materials according to the proportion of the simulated formula to prepare a sample, and calculating the mass (M) of the added sample according to the following formula:
W1＝(V1-V0)×ρ×α 0
wherein: w1 represents the charge (g), V1 represents the mixer capacity (cm 3 ) V0 represents the rotor volume (cm) 3 ) ρ represents the solid volume or melt density (g/cm) of the raw material 3 )，α 0 For processing coefficients, calculated as solid or melt densities of 0.655 or 0.80;
(3) Acquiring material data of a simulation formula sample through a torque rheometer, setting the experimental temperature to be 180-320 ℃ and the rotating speed to be 45-60 r/min; after the set temperature is stable for 10min, correcting the torque, and performing the next experiment when the rotor rotates normally;
(4) Putting the materials calculated in the step (2) into a mixing chamber by a feeder, putting down a pressing rod to compact the materials, bracing, cooling, granulating and drying to obtain a multifunctional master batch finished product containing multi-scale filler molecules, testing performance data of the finished product, and inputting the performance data into a system for verification;
(5) Inputting the parameters and the limitations into a gene feedback system, clicking and inquiring to obtain the recommended raw materials and the weight percentage scheme of the raw materials are as follows:
20-70% of various multi-scale filler molecules;
30-80% of high molecular thermoplastic resin.
The multi-scale filler molecules in the input gene feedback system at least comprise two scales, wherein two or more scales can be various nano particle molecules in zero dimension, various one-dimensional nano tubes, nano belts, nano wires and nano thread structures, various two-dimensional nano sheet molecules and various three-dimensional nano structure networks.
The high polymer thermoplastic resin in the input gene feedback system is one or a combination of a plurality of polyethylene, polypropylene, polyvinyl chloride, polystyrene, polyamide, polyoxymethylene, polycarbonate, polyphenyl ether, polysulfone, rubber and the like.
The beneficial effects of the invention are as follows:
the high-molecular heat-conducting material gene feedback system and the application thereof provided by the invention can accelerate the performance parameter selection, material control and material performance characterization in the new material research and development process related to production by combining a program completed by a computer through the modern information technology with a computer model and calculation of material genes, so that the production, processing and improvement of materials with specific functions can be rapidly obtained, and the traditional methods with low efficiency, long period and the like such as a trial and error method are avoided.
The material gene feedback system and the application thereof provided by the invention are material gene feedback systems which are designed by combining material gene parameters with computer technology and can realize high flux and intellectualization, can enable the research and development, design and performance of material structures to be more controllable, provide references for the design, processing and improvement of certain specific materials in actual production, can greatly simplify the workload of research and development of new materials through the operation and iteration of the feedback systems, build a standardized database, promote the controllability and the accurate performance guidance of the materials, and realize the intellectualization of new material industry on the basis of continuously accumulating respective basic material genes.
When the high-molecular heat-conducting material gene feedback system is particularly applied to research and development of multi-scale high-molecular multifunctional master batches, a series of set product performance data parameters can be obtained by designing the multi-scale high-molecular multifunctional master batches and processing the multi-scale high-molecular multifunctional master batches through a specific processing technology; the obtained multi-scale high-molecular multifunctional master batch has good comprehensive performance and is easy to industrialize.
The invention provides a brand new digital idea for new material designs such as high polymer heat conducting materials, and the like, and can also widely meet the industrialized research and development and production of material genes in other different fields.
The foregoing is a summary of the invention and is provided to further illustrate the invention in conjunction with the following detailed description.
Detailed Description
In order to further illustrate the technical means and efficacy of the present invention as it is achieved by the intended purpose, a detailed description of embodiments of the present invention is provided with reference to the following examples.
The high polymer heat conducting material gene feedback system is based on the operation of a computer system and consists of the following interconnected and communicated functional modules:
(1) The material performance database is used for recording performance gene data of the performance of the multifunctional polymer master batches with different combinations, structures and proportions under the set processing conditions;
(2) The intelligent query module is used for inputting 1-3 parameters which are required to be limited by the genetic design of the heat conducting material to be developed;
(3) The operation marking module is used for searching the material genes in the limiting requirements and the database, marking the material genes meeting the limiting requirements, and sequencing the summary and the condition coincidence degree of all marked material genes to obtain an alternative scheme;
(4) The recommendation application module is used for automatically feeding the material gene data of the adopted scheme back to the material performance database after the marking module is completed;
(5) The prediction analysis module is used for judging the feasibility of the novel material gene design scheme based on the comparison of the existing material genes in the database;
(6) And the simulation presumption module is used for recommending a scheme according to the possibility of simulation presumption of the similar material genes in the database when the data query of the existing system is invalid.
The prediction analysis module is used for realizing material selection guiding based on the intelligent query module: inputting 1-3 limiting conditions after selecting and guiding the selected materials, and carrying out predictive analysis on novel material genes by click prediction; for the material genes existing in the database, the system can directly locate the corresponding material gene data and feed back; for material genes that are not present in the database, the system will invoke a simulation speculation module to give predictions and feedback against similar material gene data.
The simulation presumption module returns to the performance selection guiding step in the intelligent query module when the system data query is invalid, and after inputting 1-3 limiting conditions, the simulation presumption analysis of the novel material genes is performed by click presumption; according to the required principle of special limiting conditions, alternative simulation is made by using material genes with similar principles in a database, and the speculative feedback with the highest possibility is given to form a reference scheme.
The material performance gene data comprise heat conductivity coefficient, tensile strength, hardness, toughness, wear resistance, electric conductivity, insulating property, dielectric constant, dielectric breakdown strength, electrostatic shielding effect and other functional parameters, or other material performance parameters which can be covered in practical application.
The intelligent inquiry module has two selection guides, namely a material selection guide and a performance selection guide; wherein material selection directors refer to the limiting requirement for the added multi-scale filler molecule or thermoplastic resin, where the limiting requirement is up to 3 in number; performance selection guidance refers to the limiting requirement of performance parameters required to be provided for material genetic design materials, and the limiting requirement amount is at most 3; the limiting requirement refers to the condition which is required to be met by the final material design proposal recommended by the system, and the recommended proposal can be obtained by clicking and inquiring after the corresponding guiding selection is determined.
The operation marking module specifically further comprises the following steps:
when the quantity of the limiting requirements is 1, marking the material meeting the limiting requirements as 1, marking the material not meeting the limiting requirements as 0, extracting all the data marked as 1 at the moment, and sequencing the data from high to low according to the degree of the compliance of the limiting requirements; when the limiting requirement number is 2, the material satisfying the limiting requirement one is marked as 1, and the material not satisfying the limiting requirement one is marked as 0; the material meeting the second limiting requirement is marked as 1, and the material not meeting the second limiting requirement is marked as 0; extracting all data marked 11, and sorting from high to low according to the degree of compliance of the first limiting requirement; when the limiting requirement number is 3, the material satisfying the limiting requirement one is marked as 1, and the material not satisfying the limiting requirement one is marked as 0; the material meeting the second limiting requirement is marked as 1, and the material not meeting the second limiting requirement is marked as 0; the material satisfying the third constraint is marked 1, and the material not satisfying the third constraint is marked 0; all data labeled 111 are extracted and ranked from high to low according to the degree of compliance of the first constraint.
A method for obtaining a scheme for preparing a high-molecular heat-conducting material by using the high-molecular heat-conducting material gene feedback system specifically comprises the following steps of:
(1) Inputting raw material gene data of the multi-scale polymer multifunctional master batch to be prepared and each limiting condition into a gene feedback system, setting raw materials to be various multi-scale filler molecules and polymer thermoplastic resins, and obtaining a suitable mass percentage scheme of each raw material by the system according to the following process;
(2) Calculating a simulated formula by using the system through various filler molecules in the step (1), weighing raw materials according to the proportion of the simulated formula to prepare a sample, and calculating the mass (M) of the added sample according to the following formula:
W1＝(V1-V0)×ρ×α 0
wherein: w1 represents the charge (g), V1 represents the mixtureCapacity (cm) 3 ) V0 represents the rotor volume (cm) 3 ) ρ represents the solid volume or melt density (g/cm) of the raw material 3 )，α 0 For processing coefficients, calculated as solid or melt densities of 0.655 or 0.80;
(3) Acquiring material data of a simulation formula sample through a torque rheometer, setting the experimental temperature to be 180-320 ℃ and the rotating speed to be 45-60 r/min; after the set temperature is stable for 10min, correcting the torque, and performing the next experiment when the rotor rotates normally;
(4) Putting the materials calculated in the step (2) into a mixing chamber by a feeder, putting down a pressing rod to compact the materials, bracing, cooling, granulating and drying to obtain a multifunctional master batch finished product containing multi-scale filler molecules, testing performance data of the finished product, and inputting the performance data into a system for verification;
(5) Inputting the parameters and the limitations into a gene feedback system, clicking and inquiring to obtain the recommended raw materials and the weight percentage scheme of the raw materials are as follows:
20-70% of various multi-scale filler molecules;
30-80% of high molecular thermoplastic resin.
The multi-scale filler molecules in the input gene feedback system at least comprise two scales, wherein two or more scales can be various nano particle molecules in zero dimension, various one-dimensional nano tubes, nano belts, nano wires and nano thread structures, various two-dimensional nano sheet molecules and various three-dimensional nano structure networks.
The high polymer thermoplastic resin in the input gene feedback system is one or a combination of a plurality of polyethylene, polypropylene, polyvinyl chloride, polystyrene, polyamide, polyoxymethylene, polycarbonate, polyphenyl ether, polysulfone, rubber and the like.
By adopting the method, the vertical heat conduction, electric conduction and electromagnetic shielding performance parameters of the multi-scale polymer multifunctional master batch prepared in Table 1 are respectively input, and the specific preparation material formula and technical scheme of the process are obtained.
TABLE 1
Example 1
The material gene feedback system provided in this embodiment includes: the performance database of the multi-scale high-molecular multifunctional master batch is used for recording the performance gene data of the multifunctional master batch with different combinations, structures and proportions; the intelligent query module is used for inputting the limiting requirement on the required material; the operation marking module is used for marking and finishing material genes meeting the limiting requirements; the recommendation application module is used for feeding back data; the prediction analysis module is used for feasibility analysis; and the simulation speculation module is used for recommending a scheme for possibility when the system data query is invalid.
In the embodiment, boron nitride nano-sheets are checked in a material performance database, single-layer graphene nano-sheets are used as binary fillers, and polystyrene is checked as a polymer matrix.
In this embodiment, the intelligent query module selects a performance selection guide, and sequentially selects a first limiting condition: thermal conductivity, limiting condition two: volume resistivity, prescriptive condition three: maximum reflection coefficient.
In this embodiment, the marking module is operated to calibrate the coincidence data, and the recommended optimal use weight percentage components are: 1.5% of boron nitride nano-sheet, 20% of single-layer graphene nano-sheet and 78.5% of polystyrene matrix.
The method for preparing the scheme of the high-molecular heat-conducting material by using the high-molecular heat-conducting material gene feedback system in the embodiment comprises the steps of preparing a multi-scale high-molecular multifunctional master batch, and calculating to obtain the scheme, wherein the multifunctional master batch is prepared from the following components in percentage by weight: 21.5% of boron nitride nano-sheet and single-layer graphene nano-sheet and 78.5% of polystyrene matrix.
The preparation method of the multi-scale polymer multifunctional master batch obtained by the embodiment comprises the following steps:
(1) The raw materials according to the weight percentage are:
(2) Weighing various filler molecules in the step (1) according to the formula, and calculating the mass (M) of the added sample according to the following formula:
W1＝(V1-V0)×ρ×α 0
wherein: w1 represents the charge (g), V1 represents the mixer capacity (cm 3 ) V0 represents the rotor volume (cm) 3 ) ρ represents the solid volume or melt density (g/cm) of the raw material 3 )，α 0 For processing coefficients, calculated as solid or melt densities of 0.655 or 0.80;
(3) Turning on a torque rheometer, setting the experimental temperature to be 180-320 ℃ and the rotating speed to be 45-60 r/min; after the set temperature is stable for 10min, correcting the torque, and performing the next experiment when the rotor rotates normally;
(4) And (3) feeding the materials calculated in the step (2) into a mixing chamber through a feeder, and putting down a pressing rod to compact the materials. And (3) bracing, cooling, granulating and drying to obtain a multifunctional master batch finished product containing multi-scale filler molecules.
Through practical tests, the master batch finished product firstly has the best heat conducting property, secondly has better electrical insulation property, and further has better electromagnetic shielding property, thereby meeting the set requirements.
Example 2
In the embodiment, hexagonal boron nitride particles are checked in a material performance database, a multi-wall carbon nano tube is used as a binary filler, and a thermoplastic resin is used as a polymer matrix.
In this embodiment, in the intelligent inquiry of the selection guide of the selected materials, the following selection constraint conditions are: 30 weight percent of hexagonal boron nitride particles, and the limiting condition is: the weight percentage of the multiwall carbon nanotube is 5%, and the stipulation condition III is that: the weight percentage of the polypropylene matrix is 65%.
In the embodiment, the marking module is operated to calibrate the coincidence data, and the performance parameters of the master batch according to the set material selection guide proportion are as follows: thermal conductivity 1.155 W.m -1 ·K -1 Volume resistivity 10 6 Omega cm, maximum reflection coefficient 52dB.
The method for preparing the scheme of the high-molecular heat-conducting material by using the high-molecular heat-conducting material gene feedback system in the embodiment comprises the steps of preparing a multi-scale high-molecular multifunctional master batch, and calculating to obtain the scheme, wherein the multifunctional master batch is prepared from the following components in percentage by weight: 35% of hexagonal boron nitride particles and multi-wall carbon nano tubes and 65% of polypropylene matrix.
The preparation method of the multi-scale polymer multifunctional master batch obtained by the embodiment comprises the following steps:
(1) Preparing raw materials, wherein the raw materials comprise the following components in percentage by weight:
| hexagonal boron nitride particles | 30％ |
| Multiwall carbon nanotubes | 5％ |
| Polypropylene matrix | 65％ |
(2) Weighing various filler molecules in the step (1) according to the formula, and calculating the mass (M) of the added sample according to the following formula:
W1＝(V1-V0)×ρ×α 0
wherein: w1 represents the charge (g), V1 represents the mixer capacity (cm 3 ) V0 represents the rotor volume (cm) 3 ) ρ represents the solid volume or melt density (g/cm) of the raw material 3 )，α 0 For processing coefficients, 0.655 or 0.80 as solids or melt densities.
(3) The torque rheometer is turned on, the experimental temperature is set to be 180-320 ℃, and the rotating speed is set to be 45-60 r/min. And after the set temperature is stabilized for 10min, correcting the torque, and carrying out the next experiment when the rotor rotates normally.
(4) And (3) feeding the materials calculated in the step (2) into a mixing chamber through a feeder, and putting down a pressing rod to compact the materials. And (3) bracing, cooling, granulating and drying to obtain a multifunctional master batch finished product containing multi-scale filler molecules. The product has specific heat conduction, insulation and electromagnetic shielding performance and can meet the set requirements.
Example 3
In the embodiment, single-layer graphene nanoplatelets are checked in a material performance database, silicon carbide whiskers are used as binary fillers, and polyamide is selected as a polymer matrix.
The present example selects both a material selection guide and a performance selection guide, with the material selection guide selecting a limiting condition: the weight percentage of the polyamide matrix is 55%; the limiting conditions are selected in the performance selection guide: maximum reflection coefficient.
In this embodiment, the marking module is operated to calibrate the coincidence data, and the recommended optimal use weight percentage components are: 1.8% of single-layer graphene nano-sheet, 43.2% of silicon carbide whisker and 55% of polyamide matrix. The maximum reflection coefficient of the master batch of the guiding proportion is 73dB according to the setting materials.
The method for preparing the scheme of the high-molecular heat-conducting material by using the high-molecular heat-conducting material gene feedback system in the embodiment comprises the steps of preparing a multi-scale high-molecular multifunctional master batch, and calculating to obtain the scheme, wherein the multifunctional master batch is prepared from the following components in percentage by weight: 45% of single-layer graphene nano-sheets and silicon carbide whiskers and 55% of polyamide matrix.
The preparation method of the multi-scale polymer multifunctional master batch obtained by the embodiment comprises the following steps:
(1) Preparing raw materials, wherein the raw materials comprise the following components in percentage by weight:
| single-layer graphene nanoplatelets | 1.8％ |
| Silicon carbide whisker | 43.2％ |
| Polyamide matrix | 55％ |
(2) Weighing various filler molecules in the step (1) according to the formula, and calculating the mass (M) of the added sample according to the following formula:
W1＝(V1-V0)×ρ×α 0
wherein: w1 represents the charge (g), V1 represents the mixer capacity (cm 3 ) V0 represents the rotor volume (cm) 3 ) ρ represents the solid volume or melt density (g/cm) of the raw material 3 )，α 0 For processing coefficients, 0.655 or 0.80 as solids or melt densities.
(3) The torque rheometer is turned on, the experimental temperature is set to be 180-320 ℃, and the rotating speed is set to be 45-60 r/min. And after the set temperature is stabilized for 10min, correcting the torque, and carrying out the next experiment when the rotor rotates normally.
(4) And (3) feeding the materials calculated in the step (2) into a mixing chamber through a feeder, and putting down a pressing rod to compact the materials. And (3) bracing, cooling, granulating and drying to obtain a multifunctional master batch finished product containing multi-scale filler molecules. The product can meet the set requirements and has the optimal electromagnetic shielding performance.
Example 4
In the embodiment, single-layer graphene nanoplatelets are checked in a material performance database, silicon carbide whiskers are used as binary fillers, and polyamide is selected as a polymer matrix.
The present example simultaneously selects a material selection guide, with a selection constraint of: 5% of single-layer graphene nano sheets, and the limiting condition is as follows: 40% of silicon carbide whiskers, and the limiting condition is as follows: 55% of polyamide matrix.
In the embodiment, the marking module is operated to calibrate the coincidence data, and the performance parameters of the master batch according to the set material selection guide proportion are as follows: thermal conductivity 2.311 W.m -1 ·K -1 Volume resistivity 10 7 Omega cm, maximum reflection coefficient 49dB.
The method for preparing the scheme of the high-molecular heat-conducting material by using the high-molecular heat-conducting material gene feedback system in the embodiment comprises the steps of preparing a multi-scale high-molecular multifunctional master batch, and calculating to obtain the scheme, wherein the multifunctional master batch is prepared from the following components in percentage by weight: 45% of single-layer graphene nano-sheets and silicon carbide whiskers and 55% of polyamide matrix.
The preparation method of the multi-scale polymer multifunctional master batch obtained by the embodiment comprises the following steps:
(1) Preparing raw materials, wherein the raw materials comprise the following components in percentage by weight:
| single-layer graphene nanoplatelets | 5％ |
| Silicon carbide whisker | 40％ |
| Polyamide matrix | 55％ |
(2) Weighing various filler molecules in the step (1) according to the formula, and calculating the mass (M) of the added sample according to the following formula:
W1＝(V1-V0)×ρ×α 0
wherein: w1 represents the charge (g), V1 represents the mixer capacity (cm 3 ) V0 represents the rotor volume (cm) 3 ) ρ represents the solid volume or melt density (g/cm) of the raw material 3 )，α 0 For processing coefficients, 0.655 or 0.80 as solids or melt densities.
(3) The torque rheometer is turned on, the experimental temperature is set to be 180-320 ℃, and the rotating speed is set to be 45-60 r/min. And after the set temperature is stabilized for 10min, correcting the torque, and carrying out the next experiment when the rotor rotates normally.
(4) And (3) feeding the materials calculated in the step (2) into a mixing chamber through a feeder, and putting down a pressing rod to compact the materials. And (3) bracing, cooling, granulating and drying to obtain a multifunctional master batch finished product containing multi-scale filler molecules. The product can meet the set requirements and has specific heat conduction, insulation and electromagnetic shielding properties.
Example 5
In the embodiment, single-layer graphene nanoplatelets are checked in a material performance database, silicon carbide whiskers are used as binary fillers, and polyamide is selected as a polymer matrix.
The present example selects both a material selection guide and a performance selection guide, with the material selection guide selecting a limiting condition: the weight percentage of the polyamide matrix is 55%; the limiting conditions are selected in the performance selection guide: thermal conductivity coefficient.
The embodiment operates the marking moduleCalibrating the coincidence data, and calculating the recommended optimal use weight percentage components as follows: 9% of single-layer graphene nano-sheets, 36% of silicon carbide whiskers and 55% of polyamide matrix. The heat conductivity coefficient of the master batch according to the set material selection guiding proportion is 2.987 W.m -1 ·K -1 。
The method for preparing the scheme of the high-molecular heat-conducting material by using the high-molecular heat-conducting material gene feedback system in the embodiment comprises the steps of preparing a multi-scale high-molecular multifunctional master batch, and calculating to obtain the scheme, wherein the multifunctional master batch is prepared from the following components in percentage by weight: 45% of single-layer graphene nano-sheets and silicon carbide whiskers and 55% of polyamide matrix.
The preparation method of the multi-scale polymer multifunctional master batch obtained by the embodiment comprises the following steps:
(1) Preparing raw materials, wherein the raw materials comprise the following components in percentage by weight:
(2) Weighing various filler molecules in the step (1) according to the formula, and calculating the mass (M) of the added sample according to the following formula:
W1＝(V1-V0)×ρ×α 0
wherein: w1 represents the charge (g), V1 represents the mixer capacity (cm 3 ) V0 represents the rotor volume (cm) 3 ) ρ represents the solid volume or melt density (g/cm) of the raw material 3 )，α 0 For processing coefficients, 0.655 or 0.80 as solids or melt densities.
(3) The torque rheometer is turned on, the experimental temperature is set to be 180-320 ℃, and the rotating speed is set to be 45-60 r/min. And after the set temperature is stabilized for 10min, correcting the torque, and carrying out the next experiment when the rotor rotates normally.
(4) And (3) feeding the materials calculated in the step (2) into a mixing chamber through a feeder, and putting down a pressing rod to compact the materials. And (3) bracing, cooling, granulating and drying to obtain a multifunctional master batch finished product containing multi-scale filler molecules. The product can meet the set requirements and has the optimal heat conducting property.
Example 6
In the embodiment, boron nitride nanosheets are checked in a material performance database, tetrapod-type zinc oxide whiskers are used as binary fillers, and thermoplastic phenolic resin is selected as a polymer matrix.
The selection of materials for this example is guided by a selection constraint of: 30% of boron nitride nano-sheets, and the limiting condition is as follows: four-foot zinc oxide whisker 30%, limiting condition three: 40% of thermoplastic phenolic resin matrix.
In the embodiment, the marking module is operated to calibrate the coincidence data, and the performance parameters of the master batch according to the set material selection guide proportion are as follows: thermal conductivity 3.589 W.m -1 ·K -1 Volume resistivity 10 11 Omega cm, maximum reflection coefficient 58dB.
The method for preparing the scheme of the high-molecular heat-conducting material by using the high-molecular heat-conducting material gene feedback system in the embodiment comprises the steps of preparing a multi-scale high-molecular multifunctional master batch, and calculating to obtain the scheme, wherein the multifunctional master batch is prepared from the following components in percentage by weight: 60% of boron nitride nano-sheet and four-foot type zinc oxide whisker, and 40% of thermoplastic phenolic resin matrix.
The preparation method of the multi-scale polymer multifunctional master batch obtained by the embodiment comprises the following steps:
(1) Preparing raw materials, wherein the raw materials comprise the following components in percentage by weight:
| boron nitride nanosheets | 30％ |
| Four-foot type zinc oxide whisker | 30％ |
| Thermoplastic phenolic resin matrix | 40％ |
(2) Weighing various filler molecules in the step (1) according to the formula, and calculating the mass (M) of the added sample according to the following formula:
W1＝(V1-V0)×ρ×α 0
wherein: w1 represents the charge (g), V1 represents the mixer capacity (cm 3 ) V0 represents the rotor volume (cm) 3 ) ρ represents the solid volume or melt density (g/cm) of the raw material 3 )，α 0 For processing coefficients, 0.655 or 0.80 as solids or melt densities.
(3) The torque rheometer is turned on, the experimental temperature is set to be 180-320 ℃, and the rotating speed is set to be 45-60 r/min. And after the set temperature is stabilized for 10min, correcting the torque, and carrying out the next experiment when the rotor rotates normally.
(4) And (3) feeding the materials calculated in the step (2) into a mixing chamber through a feeder, and putting down a pressing rod to compact the materials. And (3) bracing, cooling, granulating and drying to obtain a multifunctional master batch finished product containing multi-scale filler molecules. The product can meet the set requirements and has specific heat conduction, insulation and electromagnetic shielding properties.
Through practical tests, the properties of the multi-scale polymer multifunctional master batch materials prepared in the embodiments 1 to 6 all reach the preset design effect, and the multi-scale polymer multifunctional master batch material has good heat conduction, electric conduction and electromagnetic shielding properties.
The material gene feedback system and the application thereof provided by the invention are material gene feedback systems which are designed by combining material gene parameters with computer technology and can realize high flux and intellectualization, can enable the research and development, design and performance of material structures to be more controllable, provide references for the design, processing and improvement of certain specific materials in actual production, can greatly simplify the workload of research and development of new materials through the operation and iteration of the feedback systems, build a standardized database, promote the controllability and the accurate performance guidance of the materials, and realize the intellectualization of new material industry on the basis of continuously accumulating respective basic material genes.
When the high-molecular heat-conducting material gene feedback system is particularly applied to research and development of multi-scale high-molecular multifunctional master batches, a series of set product performance data parameters can be obtained by designing the multi-scale high-molecular multifunctional master batches and processing the multi-scale high-molecular multifunctional master batches through a specific processing technology; the obtained multi-scale high-molecular multifunctional master batch has good comprehensive performance and is easy to industrialize.
The invention provides a brand-new digital idea for the new material design field, and can widely meet the industrial production of material genes in different fields.
The above-mentioned embodiments are only some of the embodiments of the present invention, and do not limit the technical scope of the present invention, so that the technical features that are the same as or similar to the above-mentioned embodiments of the present invention are all within the protection scope of the present invention.
Claims (9)
1. The high polymer heat conducting material gene feedback system is characterized by comprising the following interconnected and communicated functional modules based on the operation of a computer system:
(1) The material performance database is used for recording performance gene data of the performance of the multifunctional polymer master batches with different combinations, structures and proportions under the set processing conditions;
(2) The intelligent query module is used for inputting 1-3 parameters which are required to be limited by the genetic design of the heat conducting material to be developed;
(3) The operation marking module is used for searching the material genes in the limiting requirements and the database, marking the material genes meeting the limiting requirements, and sequencing the summary and the condition coincidence degree of all marked material genes to obtain an alternative scheme;
(4) The recommendation application module is used for automatically feeding the material gene data of the adopted scheme back to the material performance database after the marking module is completed;
(5) The prediction analysis module is used for judging the feasibility of the novel material gene design scheme based on the comparison of the existing material genes in the database;
(6) And the simulation presumption module is used for recommending a scheme according to the possibility of simulation presumption of the similar material genes in the database when the data query of the existing system is invalid.
2. The polymer heat conducting material gene feedback system according to claim 1, wherein the predictive analysis module is configured to implement material selection guidance based on an intelligent query module: inputting 1-3 limiting conditions after selecting and guiding the selected materials, and performing predictive analysis on novel material genes by click prediction; for the material genes existing in the database, the system can directly locate the corresponding material gene data and feed back; for material genes that are not present in the database, the system will invoke a simulation speculation module to give predictions and feedback against similar material gene data.
3. The polymer heat conducting material gene feedback system according to claim 1, wherein the simulation presumption module returns to the performance selection guiding step in the intelligent query module when the system data query is invalid, and after inputting 1-3 limiting conditions, the simulation presumption analysis of the new material gene is performed by clicking presumption; according to the required principle of special limiting conditions, alternative simulation is made by using material genes with similar principles in a database, and the speculative feedback with the highest possibility is given to form a reference scheme.
4. The polymeric thermal conductive material genetic feedback system of claim 1 wherein the material property genetic data comprises thermal conductivity, tensile strength, hardness, toughness, abrasion resistance, electrical conductivity, insulation, dielectric constant, dielectric breakdown strength, electrostatic shielding effect.
5. The system according to claim 1, wherein the intelligent query module has two selection guides, namely a material selection guide and a performance selection guide; wherein material selection directors refer to the limiting requirement for the added multi-scale filler molecule or thermoplastic resin, where the limiting requirement is up to 3 in number; performance selection guidance refers to the limiting requirement of performance parameters required to be provided for material genetic design materials, and the limiting requirement amount is at most 3; the limiting requirement refers to the condition which is required to be met by the final material design proposal recommended by the system, and the recommended proposal can be obtained by clicking and inquiring after the corresponding guiding selection is determined.
6. The polymer heat conducting material gene feedback system according to claim 1, wherein the operation marking module comprises the following steps:
when the quantity of the limiting requirements is 1, marking the material meeting the limiting requirements as 1, marking the material not meeting the limiting requirements as 0, extracting all the data marked as 1 at the moment, and sequencing the data from high to low according to the degree of the compliance of the limiting requirements; when the limiting requirement number is 2, the material satisfying the limiting requirement one is marked as 1, and the material not satisfying the limiting requirement one is marked as 0; the material meeting the second limiting requirement is marked as 1, and the material not meeting the second limiting requirement is marked as 0; extracting all data marked 11, and sorting from high to low according to the degree of compliance of the first limiting requirement; when the limiting requirement number is 3, the material satisfying the limiting requirement one is marked as 1, and the material not satisfying the limiting requirement one is marked as 0; the material meeting the second limiting requirement is marked as 1, and the material not meeting the second limiting requirement is marked as 0; the material satisfying the third constraint is marked 1, and the material not satisfying the third constraint is marked 0; all data labeled 111 are extracted and ranked from high to low according to the degree of compliance of the first constraint.
7. A method for obtaining a scheme for preparing a high-molecular heat-conducting material by using the high-molecular heat-conducting material gene feedback system according to one of claims 1-6, in particular to prepare a multi-scale high-molecular multifunctional master batch, which is characterized by comprising the following steps:
(1) Inputting raw material gene data of the multi-scale polymer multifunctional master batch to be prepared and each limiting condition into a gene feedback system, setting raw materials to be various multi-scale filler molecules and polymer thermoplastic resins, and obtaining a suitable mass percentage scheme of each raw material by the system according to the following process;
(2) Calculating a simulated formula by using the system through various filler molecules in the step (1), weighing raw materials according to the proportion of the simulated formula to prepare a sample, and calculating the mass (M) of the added sample according to the following formula:
W1 = (V1 - V0) × ρ × α 0
wherein: w1 represents the charge (g), V1 represents the mixer capacity (cm 3 ) V0 represents the rotor volume (cm) 3 ) ρ represents the solid volume or melt density (g/cm) of the raw material 3 )，α 0 For processing coefficients, calculated as solid or melt densities of 0.655 or 0.80;
(3) Acquiring material data of a simulation formula sample through a torque rheometer, setting the experimental temperature to be 180-320 ℃ and the rotating speed to be 45-60 r/min; after the set temperature is stable for 10min, correcting the torque, and performing the next experiment when the rotor rotates normally;
(4) Putting the materials calculated in the step (2) into a mixing chamber by a feeder, putting down a pressing rod to compact the materials, bracing, cooling, granulating and drying to obtain a multifunctional master batch finished product containing multi-scale filler molecules, testing performance data of the finished product, and inputting the performance data into a system for verification;
(5) Inputting the parameters and the limitations into a gene feedback system, clicking and inquiring to obtain the recommended raw materials and the weight percentage scheme of the raw materials are as follows:
20-70% of various multi-scale filler molecules;
30-80% of high polymer thermoplastic resin.
8. The method of claim 7, wherein the multi-scale filler molecules entered into the gene feedback system comprise at least two scales, wherein two or more of the scales are zero-dimensional types of nanoparticle molecules, one-dimensional types of nanotubes, nanobelts, nanowires, and nanothreading structures, two-dimensional types of nanoplatelet molecules, and three-dimensional types of networks of nanostructures.
9. The method of claim 7, wherein the polymeric thermoplastic resin entered into the gene feedback system is one or a combination of several of polyethylene, polypropylene, polyvinyl chloride, polystyrene, polyamide, polyoxymethylene, polycarbonate, polyphenylene oxide, polysulfone, rubber, etc.
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