CN117805167A - Nuclear magnetic based petroleum wax melting point determination method, device, equipment and storage medium - Google Patents
Nuclear magnetic based petroleum wax melting point determination method, device, equipment and storage medium Download PDFInfo
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- 239000012169 petroleum derived wax Substances 0.000 title claims abstract description 164
- 235000019381 petroleum wax Nutrition 0.000 title claims abstract description 164
- 238000002844 melting Methods 0.000 title claims abstract description 119
- 230000008018 melting Effects 0.000 title claims abstract description 119
- 238000000034 method Methods 0.000 title claims abstract description 53
- 238000003860 storage Methods 0.000 title claims abstract description 11
- 238000005481 NMR spectroscopy Methods 0.000 claims abstract description 74
- 230000005311 nuclear magnetism Effects 0.000 claims abstract description 22
- 238000002474 experimental method Methods 0.000 claims abstract description 9
- 238000012549 training Methods 0.000 claims description 25
- 238000005070 sampling Methods 0.000 claims description 10
- 238000004590 computer program Methods 0.000 claims description 8
- 238000012360 testing method Methods 0.000 claims description 8
- 238000002360 preparation method Methods 0.000 claims description 5
- 239000001993 wax Substances 0.000 claims description 5
- 238000010276 construction Methods 0.000 claims description 4
- 238000005259 measurement Methods 0.000 claims description 3
- 238000000655 nuclear magnetic resonance spectrum Methods 0.000 claims 1
- 230000008569 process Effects 0.000 abstract description 11
- 230000009286 beneficial effect Effects 0.000 abstract description 6
- 238000004891 communication Methods 0.000 description 10
- 238000001514 detection method Methods 0.000 description 8
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- 230000008878 coupling Effects 0.000 description 3
- 238000010168 coupling process Methods 0.000 description 3
- 238000005859 coupling reaction Methods 0.000 description 3
- 239000002904 solvent Substances 0.000 description 3
- 238000001228 spectrum Methods 0.000 description 3
- 230000008859 change Effects 0.000 description 2
- 230000001419 dependent effect Effects 0.000 description 2
- 230000000694 effects Effects 0.000 description 2
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- 238000013461 design Methods 0.000 description 1
- 238000004090 dissolution Methods 0.000 description 1
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- 238000005303 weighing Methods 0.000 description 1
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- G—PHYSICS
- G01—MEASURING; TESTING
- G01N—INVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
- G01N24/00—Investigating or analyzing materials by the use of nuclear magnetic resonance, electron paramagnetic resonance or other spin effects
- G01N24/08—Investigating or analyzing materials by the use of nuclear magnetic resonance, electron paramagnetic resonance or other spin effects by using nuclear magnetic resonance
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Abstract
The invention discloses a method, a device, equipment and a storage medium for measuring the melting point of petroleum wax based on nuclear magnetism, wherein the method comprises the following steps: generating a sample set comprising a plurality of petroleum wax samples; the petroleum wax samples in the sample set all determine the actual melting point through experiments; respectively obtaining nuclear magnetic resonance spectrograms of petroleum wax samples through a nuclear magnetic resonance spectrometer and generating a corresponding two-dimensional array; modeling data is generated according to the corresponding relation between the actual melting point of the petroleum wax sample and the two-dimensional array, and a prediction model for predicting the melting point estimated value of the petroleum wax product is generated according to the modeling data. The invention can greatly reduce the use amount of samples and the manual workload, thereby being beneficial to saving the cost and improving the working efficiency; time cost in the measuring process can be effectively saved.
Description
Technical Field
The invention relates to the field of petrochemical detection, in particular to a method, a device, equipment and a storage medium for measuring the melting point of petroleum wax based on nuclear magnetism.
Background
The melting point is the basis of the petroleum wax product division marks and is also an important property which is referred to in the production and processing process of the petroleum wax product.
In the prior art, the national standard detection method of the melting point of petroleum wax products comprises GB/T2539, and the internationally common standard detection methods are ASTM D87 and ISO 3841.
The standard methods all adopt a cooling curve method, when the sample is solidified in the cooling process of the petroleum wax sample, the temperature change rate of the sample is reduced, a stagnation period is formed on the cooling curve, and the melting point of the petroleum wax sample is determined by periodically recording the temperature change in the cooling process.
The inventor finds that the melting point detection method adopting a cooling curve in the prior art has at least the following defects:
the experimental process is complex in operation, long in time consumption, large in manual workload, large in sample consumption, and large in extraction solvent and cleaning solvent consumption, so that the efficiency of measuring the melting point of petroleum wax products is low and the cost is high.
The above information disclosed in this background section is only for enhancement of understanding of the general background of the invention and should not be taken as an acknowledgement or any form of suggestion that this information forms the prior art already known to a person of ordinary skill in the art.
Disclosure of Invention
The invention aims to improve the melting point measuring efficiency of petroleum wax products and reduce the measuring cost.
The invention provides a nuclear magnetism-based petroleum wax melting point determination method, which comprises the following steps:
s11, generating a sample set comprising a plurality of petroleum wax samples; the petroleum wax samples in the sample set all determine the actual melting point through experiments;
s12, respectively obtaining nuclear magnetic resonance spectrograms of the petroleum wax samples through a nuclear magnetic resonance spectrometer, and generating a corresponding two-dimensional array according to the nuclear magnetic resonance spectrograms;
and S13, generating modeling data according to the corresponding relation between the actual melting point of the petroleum wax sample and the two-dimensional array, and generating a prediction model for predicting the melting point estimated value of the petroleum wax product according to the modeling data.
Preferably, in an embodiment of the present invention, the method further includes:
s14, obtaining a nuclear magnetic resonance spectrogram of the petroleum wax sample to be detected through a nuclear magnetic resonance spectrometer, and obtaining a corresponding two-dimensional array according to the nuclear magnetic resonance spectrogram;
s15, taking the two-dimensional array of the petroleum wax sample to be detected as input, and obtaining the melting point estimated value of the petroleum wax sample to be detected through the prediction model.
Preferably, in an embodiment of the present invention, the method includes:
the actual melting point of the petroleum wax sample is obtained by detecting with national standard GB/T2539 or with international standard ASTM D87 or ISO 3841.
Preferably, in an embodiment of the present invention, the generating a corresponding two-dimensional array by the nmr spectrum includes:
and acquiring the abscissa values and the ordinate values of a plurality of sampling points in the nuclear magnetic resonance spectrogram, and generating a two-dimensional array formed by the abscissa values and the ordinate values.
Preferably, in an embodiment of the present invention, the adding the abscissa value and the ordinate value to the nmr spectrum to obtain a plurality of sampling points includes:
and determining a sampling point at every preset interval by taking the abscissa as a reference.
Preferably, in an embodiment of the present invention, the generating a prediction model for predicting a melting point estimate of a petroleum wax product includes:
data set preparation, model training, feature selection and parameter tuning.
Preferably, in an embodiment of the present invention, the generating a prediction model for predicting a melting point estimate of a petroleum wax product includes:
s21, determining a training set and a testing set in the modeling data according to a preset proportion;
s22, model training is carried out based on the data of the training set, and training results are tested on the testing set.
In another aspect of the present invention, there is also provided a nuclear magnetism-based petroleum wax melting point measuring apparatus comprising:
a sample set generating unit for generating a sample set including a plurality of wax products; the petroleum wax samples in the sample set all determine the actual melting point through experiments;
the two-dimensional array generating unit is used for respectively obtaining nuclear magnetic resonance spectrograms of the petroleum wax samples through a nuclear magnetic resonance spectrometer and generating a corresponding two-dimensional array according to the nuclear magnetic resonance spectrograms;
and the prediction model construction unit is used for generating modeling data according to the corresponding relation between the actual melting point of the petroleum wax sample and the two-dimensional array, and generating a prediction model for predicting the melting point estimated value of the petroleum wax product according to the modeling data.
Preferably, in an embodiment of the present invention, the method further includes:
the input data acquisition unit is used for acquiring a nuclear magnetic resonance spectrogram of the petroleum wax sample to be detected through the nuclear magnetic resonance spectrometer and acquiring a corresponding two-dimensional array according to the nuclear magnetic resonance spectrogram;
and the melting point prediction unit is used for taking the two-dimensional array of the petroleum wax sample to be detected as input, and obtaining the melting point estimated value of the petroleum wax sample to be detected through the prediction model.
In another aspect of the embodiment of the present invention, there is also provided a nuclear magnetism-based petroleum wax melting point measuring apparatus, including:
a memory for storing a computer program;
a processor for invoking and executing the computer program to perform the steps of the nuclear magnetic based petroleum wax melting point determination method as described in any of the above.
In another aspect of the embodiments of the present invention, there is also provided a storage medium having stored thereon a computer program which, when executed by a processor, implements the steps of the nuclear magnetic based petroleum wax melting point determination method as described in any one of the above.
The nuclear magnetic resonance-based petroleum wax melting point determination apparatus includes a computer program stored on a medium, the computer program including program instructions which, when executed by a computer, cause the computer to perform the method described in the above aspects and achieve the same technical effects.
Compared with the prior art, the invention has the following beneficial effects:
in the scheme for measuring the melting point of the petroleum wax based on nuclear magnetism, a plurality of petroleum wax samples with melting points measured in a standard mode are obtained; then nuclear magnetic resonance spectrograms of various petroleum wax samples are respectively obtained through a nuclear magnetic resonance spectrometer, and a corresponding two-dimensional array is generated according to the nuclear magnetic resonance spectrograms; then, the association relationship between the melting point of each petroleum wax sample and the two-dimensional array of each petroleum wax sample can be established; then, model training is carried out by taking a two-dimensional array of each petroleum wax sample as an independent variable and taking the known melting point of each petroleum wax sample as a dependent variable, so that a prediction model for measuring the melting point of a petroleum wax product can be generated; in practical application, when the melting point (i.e., the melting point estimated value) of a petroleum wax product with an unknown melting point (i.e., the petroleum wax product to be measured) needs to be measured, a nuclear magnetic resonance spectrogram of the petroleum wax product to be measured can be obtained first and a corresponding two-dimensional array is generated, and then the two-dimensional array is used as input, and the melting point estimated value of the petroleum wax product to be measured is obtained according to a prediction model.
Because the invention is used for determining the melting point of the petroleum wax product, the part needing manual operation is only a link of determining the nuclear magnetic resonance spectrogram of a small amount of petroleum wax samples to be detected by a nuclear magnetic resonance spectrometer and generating a corresponding two-dimensional array; the subsequent part for calculating the melting point through the prediction model can be completed by processing equipment such as a computer; the sample preparation of the petroleum wax sample does not need to wait until the detection cooling process is finished, so that the use amount and the manual workload of the sample can be greatly reduced, thereby being beneficial to saving the cost and improving the working efficiency; time cost in the measuring process can be effectively saved.
The foregoing description is only an overview of the present invention, and it is to be understood that it is intended to provide a more clear understanding of the technical means of the present invention and to enable the technical means to be carried out in accordance with the contents of the specification, while at the same time providing a more complete understanding of the above and other objects, features and advantages of the present invention, and one or more preferred embodiments thereof are set forth below, together with the detailed description given below, along with the accompanying drawings.
Drawings
In order to more clearly illustrate the technical solutions of the present invention, the drawings that are needed for the embodiments will be briefly described below, it being obvious that the drawings in the following description are only some embodiments of the present invention, and that other drawings may be obtained according to these drawings without inventive effort for a person skilled in the art.
FIG. 1 is a step diagram of a method for determining the melting point of a nuclear magnetic based petroleum wax according to the present invention;
FIG. 2 is a schematic structural diagram of a nuclear magnetism-based petroleum wax melting point determination device according to the present invention;
FIG. 3 is a schematic structural diagram of a nuclear magnetism-based petroleum wax melting point determination apparatus according to the present invention.
Detailed Description
The following detailed description of embodiments of the invention is, therefore, to be taken in conjunction with the accompanying drawings, and it is to be understood that the scope of the invention is not limited to the specific embodiments.
Throughout the specification and claims, unless explicitly stated otherwise, the term "comprise" or variations thereof such as "comprises" or "comprising", etc. will be understood to include the stated element or component without excluding other elements or other components.
The terms "first," "second," and the like herein are used for distinguishing between two different elements or regions and are not intended to limit a particular position or relative relationship. In other words, in some embodiments, the terms "first," "second," etc. may also be interchanged with one another.
Example 1
In order to improve the measurement efficiency of the melting point of petroleum wax products and reduce the measurement cost, as shown in fig. 1, the embodiment of the invention provides a method for measuring the melting point of petroleum wax based on nuclear magnetism, which comprises the following steps:
s11, generating a sample set comprising a plurality of petroleum wax samples; the petroleum wax samples in the sample set all determine the actual melting point through experiments;
in the embodiment of the invention, a plurality of representative petroleum waxes are selected as petroleum wax samples, and a sample set is constructed; in this sample set, each petroleum wax sample was subjected to standard experimentation to obtain an accurate actual melting point.
In practical application, the accurate actual melting point of each petroleum wax sample can be obtained by adopting national standard GB/T2539 detection or adopting international standard ASTM D87 or ISO 3841 detection modes.
S12, respectively obtaining nuclear magnetic resonance spectrograms of the petroleum wax samples through a nuclear magnetic resonance spectrometer, and generating a corresponding two-dimensional array according to the nuclear magnetic resonance spectrograms;
the inventor finds that the nuclear magnetic resonance spectrograms are different due to the difference of components among different petroleum wax products through research; in the embodiment of the invention, the purpose of acquiring the nuclear magnetic resonance spectrogram of the petroleum wax sample is not to perform component analysis, but only to characterize the difference between different petroleum wax products, and to facilitate the training and construction of the prediction model, in the embodiment of the invention, a two-dimensional array generated according to the nuclear magnetic resonance spectrogram is used as modeling data for constructing the prediction model.
The specific process can comprise the following steps: and weighing a set amount of wax sample, placing the wax sample in a sample bottle, adding a solvent for dissolution, and detecting after sample injection of a sample injection system of a nuclear magnetic resonance spectrometer to obtain a nuclear magnetic resonance spectrogram.
In practical application, the process of generating the corresponding two-dimensional array through the nuclear magnetic resonance spectrogram may be that the abscissa values and the ordinate values of a plurality of sampling points are obtained in the nuclear magnetic resonance spectrogram, and a two-dimensional array formed by the abscissa values and the ordinate values is generated.
In practical application, a sampling point can be determined at every other preset interval by taking the abscissa as a reference; for example, in a nuclear magnetic resonance spectrogram, the abscissa is sampled every preset number of chemical shifts (i.e., spectral peak positions) to determine the abscissa and the ordinate of a sampling point, so that the difference between the abscissas of each adjacent sampling point is the same, that is, the abscissas in the two-dimensional array arranged in sequence are equal difference sequences.
And S13, generating modeling data according to the corresponding relation between the actual melting point of the petroleum wax sample and the two-dimensional array, and generating a prediction model for predicting the melting point estimated value of the petroleum wax product according to the modeling data.
After the association relation between the melting point of each petroleum wax sample and the two-dimensional array thereof is established, model training is carried out by taking the two-dimensional array of each petroleum wax sample as an independent variable and taking the known melting point of each petroleum wax sample as the independent variable, so that a prediction model for measuring the melting point of a petroleum wax product can be generated, and the method is specific:
in practical applications, the prediction model is generally established through data set preparation, model training, feature selection and parameter tuning.
In the embodiment of the invention, a mathematical method can be used for model training of a two-dimensional array and a melting point of a petroleum wax sample, wherein the mathematical method for establishing a prediction model can comprise XGBOOST and a random forest model.
Preferably, in an embodiment of the present invention, the constructing a prediction model for predicting a melting point estimate of a petroleum wax product includes:
s21, determining a training set and a testing set in modeling data according to a preset proportion;
modeling data in the embodiment of the invention can be specifically composed of: each data record includes an identification of the petroleum wax sample, a two-dimensional array, and a melting point.
S22, model training is carried out based on the data of the training set, and training results are tested on the testing set.
After the training set and the test set are divided, model training can be performed based on the data of the training set, and training results are tested on the test set; in practical applications, XGBOOST, random forest models, etc. may be selected for model training.
The two-dimensional array in the embodiment of the invention takes coordinate data in a graph as a representation form, wherein the abscissa chemical shift (namely, the spectrum peak position) and the ordinate in the coordinate data are peak intensities.
Through steps S11 to S13, a prediction model for predicting an estimated melting point value of a petroleum wax product can be generated.
Further, in the embodiment of the present invention, the method may further include a step of obtaining an estimated melting point value of the predicted petroleum wax product by using the prediction model, specifically:
s14, obtaining a nuclear magnetic resonance spectrogram of the petroleum wax sample to be detected through a nuclear magnetic resonance spectrometer, and obtaining a corresponding two-dimensional array according to the nuclear magnetic resonance spectrogram;
because the two-dimensional array of the petroleum wax is taken as an independent variable when the prediction model is constructed in the embodiment of the invention, the two-dimensional array corresponding to the petroleum wax sample to be detected is also required to be obtained when the prediction model is used.
S15, taking the two-dimensional array of the petroleum wax sample to be detected as input, and obtaining the melting point estimated value of the petroleum wax sample to be detected through the prediction model.
In summary, in the melting point determination scheme of the petroleum wax based on nuclear magnetism provided by the embodiment of the invention, a plurality of petroleum wax samples with melting points measured by a standard mode are obtained first; then nuclear magnetic resonance spectrograms of various petroleum wax samples are respectively obtained through a nuclear magnetic resonance spectrometer, and a corresponding two-dimensional array is generated according to the nuclear magnetic resonance spectrograms; then, the association relationship between the melting point of each petroleum wax sample and the two-dimensional array of each petroleum wax sample can be established; then, model training is carried out by taking a two-dimensional array of each petroleum wax sample as an independent variable and taking the known melting point of each petroleum wax sample as a dependent variable, so that a prediction model for measuring the melting point of a petroleum wax product can be generated; in practical application, when the melting point (i.e., the melting point estimated value) of a petroleum wax product with an unknown melting point (i.e., the petroleum wax product to be measured) needs to be measured, a nuclear magnetic resonance spectrogram of the petroleum wax product to be measured can be obtained first and a corresponding two-dimensional array is generated, and then the two-dimensional array is used as input, and the melting point estimated value of the petroleum wax product to be measured is obtained according to a prediction model.
Because the invention is used for determining the melting point of the petroleum wax product, the part needing manual operation is only a link of determining the nuclear magnetic resonance spectrogram of a small amount of petroleum wax samples to be detected by a nuclear magnetic resonance spectrometer and generating a corresponding two-dimensional array; the subsequent part for calculating the melting point through the prediction model can be completed by processing equipment such as a computer; the sample preparation of the petroleum wax sample does not need to wait until the detection cooling process is finished, so that the use amount and the manual workload of the sample can be greatly reduced, thereby being beneficial to saving the cost and improving the working efficiency; time cost in the measuring process can be effectively saved.
Example two
Corresponding to the method embodiment, in another aspect of the embodiment of the present invention, a nuclear magnetic based petroleum wax melting point measuring device is further provided, fig. 2 is a schematic structural diagram of the nuclear magnetic based petroleum wax melting point measuring device provided in the embodiment of the present invention, where the nuclear magnetic based petroleum wax melting point measuring device is a device corresponding to the nuclear magnetic based petroleum wax melting point measuring method in the embodiment corresponding to fig. 1, that is, the nuclear magnetic based petroleum wax melting point measuring method in the embodiment corresponding to fig. 1 is implemented by means of a virtual device, and each virtual module forming the nuclear magnetic based petroleum wax melting point measuring device may be executed by an electronic device, for example, a network device, a terminal device, or a server. Specifically, the petroleum wax melting point measuring device based on nuclear magnetism in the embodiment of the invention comprises:
a sample set generating unit for generating a sample set including a plurality of wax products; the petroleum wax samples in the sample set all determine the actual melting point through experiments;
the two-dimensional array generating unit is used for respectively obtaining nuclear magnetic resonance spectrograms of the petroleum wax samples through a nuclear magnetic resonance spectrometer and generating a corresponding two-dimensional array according to the nuclear magnetic resonance spectrograms;
and the prediction model construction unit is used for generating modeling data according to the corresponding relation between the actual melting point of the petroleum wax sample and the two-dimensional array, and generating a prediction model for predicting the melting point estimated value of the petroleum wax product according to the modeling data.
Preferably, in an embodiment of the present invention, the method further includes:
the input data acquisition unit is used for acquiring a nuclear magnetic resonance spectrogram of the petroleum wax sample to be detected through the nuclear magnetic resonance spectrometer and acquiring a corresponding two-dimensional array according to the nuclear magnetic resonance spectrogram;
and the melting point prediction unit is used for taking the two-dimensional array of the petroleum wax sample to be detected as input, and obtaining the melting point estimated value of the petroleum wax sample to be detected through the prediction model.
It should be noted that, the specific implementation manner and the technical effect of the device for determining the melting point of the petroleum wax based on the nuclear magnetism in the embodiment of the present invention may refer to the method for determining the melting point of the petroleum wax based on the nuclear magnetism corresponding to fig. 1, which is not described herein again.
Example III
Corresponding to the method embodiment, the embodiment of the invention also provides a petroleum wax melting point measuring device based on nuclear magnetism, such as a terminal, a server and the like. The server may be an independent physical server, a server cluster or a distributed system formed by a plurality of physical servers, or a cloud server providing cloud services, cloud databases, cloud computing, cloud functions, cloud storage, network services, cloud communication, middleware services, domain name services, security services, CDNs, basic cloud computing services such as big data and artificial intelligent platforms. The terminal may be, but is not limited to, a smart phone, a tablet computer, a notebook computer, a desktop computer, etc.
An example diagram of a hardware structure block diagram of a nuclear magnetism-based petroleum wax melting point determination device provided in an embodiment of the present application is shown in fig. 3, and may include:
a processor 1, a communication interface 2, a memory 3 and a communication bus 4;
wherein the processor 1, the communication interface 2 and the memory 3 complete the communication with each other through the communication bus 4;
alternatively, the communication interface 2 may be an interface of a communication module, such as an interface of a GSM module;
the processor 1 may be a central processing unit CPU, or a specific integrated circuit ASIC (Application Specific Integrated Circuit), or one or more integrated circuits configured to implement embodiments of the present application.
The memory 3 may comprise a high-speed RAM memory or may further comprise a non-volatile memory, such as at least one disk memory.
Wherein the processor 1 is specifically configured to execute a computer program stored in the memory 3 to perform the following steps:
s11, generating a sample set comprising a plurality of petroleum wax samples; the petroleum wax samples in the sample set all determine the actual melting point through experiments;
s12, respectively obtaining nuclear magnetic resonance spectrograms of the petroleum wax samples through a nuclear magnetic resonance spectrometer, and generating a corresponding two-dimensional array according to the nuclear magnetic resonance spectrograms;
and S13, generating modeling data according to the corresponding relation between the actual melting point of the petroleum wax sample and the two-dimensional array, and generating a prediction model for predicting the melting point estimated value of the petroleum wax product according to the modeling data.
Preferably, in an embodiment of the present invention, the method further includes:
s14, obtaining a nuclear magnetic resonance spectrogram of the petroleum wax sample to be detected through a nuclear magnetic resonance spectrometer, and obtaining a corresponding two-dimensional array according to the nuclear magnetic resonance spectrogram;
s15, taking the two-dimensional array of the petroleum wax sample to be detected as input, and obtaining the melting point estimated value of the petroleum wax sample to be detected through the prediction model.
The product can execute the method provided by the embodiment of the invention, and has the corresponding functional modules and beneficial effects of the execution method. Technical details which are not described in detail in the present example can be seen in the method for measuring melting point of petroleum wax based on nuclear magnetism provided by the embodiment of the present invention.
Example IV
In an embodiment of the present invention, there is also provided a storage medium storing a program adapted to be executed by a processor, the program being configured to:
s11, generating a sample set comprising a plurality of petroleum wax samples; the petroleum wax samples in the sample set all determine the actual melting point through experiments;
s12, respectively obtaining nuclear magnetic resonance spectrograms of the petroleum wax samples through a nuclear magnetic resonance spectrometer, and generating a corresponding two-dimensional array according to the nuclear magnetic resonance spectrograms;
and S13, generating modeling data according to the corresponding relation between the actual melting point of the petroleum wax sample and the two-dimensional array, and generating a prediction model for predicting the melting point estimated value of the petroleum wax product according to the modeling data.
Preferably, in an embodiment of the present invention, the method further includes:
s14, obtaining a nuclear magnetic resonance spectrogram of the petroleum wax sample to be detected through a nuclear magnetic resonance spectrometer, and obtaining a corresponding two-dimensional array according to the nuclear magnetic resonance spectrogram;
s15, taking the two-dimensional array of the petroleum wax sample to be detected as input, and obtaining the melting point estimated value of the petroleum wax sample to be detected through the prediction model.
Alternatively, the refinement function and the extension function of the program may be described with reference to the above.
The product can execute the method provided by the embodiment of the invention, and has the corresponding functional modules and beneficial effects of the execution method. Technical details not described in detail in this embodiment may be found in the methods provided in other embodiments of the present invention.
Those of ordinary skill in the art will appreciate that the various illustrative elements and algorithm steps described in connection with the embodiments disclosed herein may be implemented as electronic hardware, or combinations of computer software and electronic hardware. Whether such functionality is implemented as hardware or software depends upon the particular application and design constraints imposed on the solution. Skilled artisans may implement the described functionality in varying ways for each particular application, but such implementation decisions should not be interpreted as causing a departure from the scope of the present application.
In the several embodiments provided in this application, it should be understood that the disclosed systems, devices, and methods may be implemented in other manners. Alternatively, the coupling or direct coupling or communication connection shown or discussed with each other may be an indirect coupling or communication connection via some interfaces, devices or units, which may be in electrical, mechanical or other form.
The units described as separate units may or may not be physically separate, and units shown as units may or may not be physical units, may be located in one place, or may be distributed on a plurality of network units. Some or all of the units may be selected according to actual needs to achieve the purpose of the solution of this embodiment.
In addition, each functional unit in each embodiment of the present application may be integrated in one processing unit, or each unit may exist alone physically, or two or more units may be integrated in one unit.
It should be understood that in the embodiments of the present application, the claims, the various embodiments, and the features may be combined with each other, so as to solve the foregoing technical problems.
The functions, if implemented in the form of software functional units and sold or used as a stand-alone product, may be stored in a computer-readable storage medium. Based on such understanding, the technical solution of the present application may be embodied essentially or in a part contributing to the prior art or in a part of the technical solution, in the form of a software product stored in a storage medium, including several instructions for causing a computer device (which may be a personal computer, a server, or a network device, etc.) to perform all or part of the steps of the methods described in the embodiments of the present application. And the aforementioned storage medium includes: a U-disk, a removable hard disk, a Read-Only Memory (ROM), a random access Memory (RAM, random Access Memory), a magnetic disk, or an optical disk, or other various media capable of storing program codes.
The previous description of the disclosed embodiments is provided to enable any person skilled in the art to make or use the present application. 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 application. Thus, the present application 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 (11)
1. The method for measuring the melting point of the petroleum wax based on nuclear magnetism is characterized by comprising the following steps of:
s11, generating a sample set comprising a plurality of petroleum wax samples; the petroleum wax samples in the sample set all determine the actual melting point through experiments;
s12, respectively obtaining nuclear magnetic resonance spectrograms of the petroleum wax samples through a nuclear magnetic resonance spectrometer, and generating a corresponding two-dimensional array according to the nuclear magnetic resonance spectrograms;
and S13, generating modeling data according to the corresponding relation between the actual melting point of the petroleum wax sample and the two-dimensional array, and generating a prediction model for predicting the melting point estimated value of the petroleum wax product according to the modeling data.
2. The method for measuring the melting point of petroleum wax based on nuclear magnetism according to claim 1, further comprising:
s14, obtaining a nuclear magnetic resonance spectrogram of the petroleum wax sample to be detected through a nuclear magnetic resonance spectrometer, and obtaining a corresponding two-dimensional array according to the nuclear magnetic resonance spectrogram;
s15, taking the two-dimensional array of the petroleum wax sample to be detected as input, and obtaining the melting point estimated value of the petroleum wax sample to be detected through the prediction model.
3. The method for measuring the melting point of petroleum wax based on nuclear magnetism according to claim 1, comprising:
the actual melting point of the petroleum wax sample is obtained by detecting with national standard GB/T2539 or with international standard ASTM D87 or ISO 3841.
4. The method for determining the melting point of petroleum wax based on nuclear magnetism according to claim 1 or 2, wherein the generating a corresponding two-dimensional array by the nuclear magnetic resonance spectrogram comprises:
and acquiring the abscissa values and the ordinate values of a plurality of sampling points in the nuclear magnetic resonance spectrogram, and generating a two-dimensional array formed by the abscissa values and the ordinate values.
5. The method for determining the melting point of petroleum wax based on nuclear magnetism according to claim 4, wherein the adding the abscissa and ordinate values of the plurality of sampling points to the nuclear magnetic resonance spectrum comprises:
and determining a sampling point at every preset interval by taking the abscissa as a reference.
6. The method of claim 5, wherein generating a prediction model for predicting an estimate of the melting point of a petroleum wax product comprises:
data set preparation, model training, feature selection and parameter tuning.
7. The method of claim 6, wherein generating a prediction model for predicting an estimate of the melting point of a petroleum wax product comprises:
s21, determining a training set and a testing set in the modeling data according to a preset proportion;
s22, model training is carried out based on the data of the training set, and training results are tested on the testing set.
8. A nuclear magnetism-based petroleum wax melting point determination device, comprising:
a sample set generating unit for generating a sample set including a plurality of wax products; the petroleum wax samples in the sample set all determine the actual melting point through experiments;
the two-dimensional array generating unit is used for respectively obtaining nuclear magnetic resonance spectrograms of the petroleum wax samples through a nuclear magnetic resonance spectrometer and generating a corresponding two-dimensional array according to the nuclear magnetic resonance spectrograms;
and the prediction model construction unit is used for generating modeling data according to the corresponding relation between the actual melting point of the petroleum wax sample and the two-dimensional array, and generating a prediction model for predicting the melting point estimated value of the petroleum wax product according to the modeling data.
9. The nuclear magnetic based petroleum wax melting point determination apparatus of claim 8, further comprising:
the input data acquisition unit is used for acquiring a nuclear magnetic resonance spectrogram of the petroleum wax sample to be detected through the nuclear magnetic resonance spectrometer and acquiring a corresponding two-dimensional array according to the nuclear magnetic resonance spectrogram;
and the melting point prediction unit is used for taking the two-dimensional array of the petroleum wax sample to be detected as input, and obtaining the melting point estimated value of the petroleum wax sample to be detected through the prediction model.
10. A nuclear magnetic based petroleum wax melting point measurement apparatus comprising:
a memory for storing a computer program;
a processor for invoking and executing said computer program to perform the steps of the nuclear magnetic based petroleum wax melting point determination method of any of claims 1-7.
11. A storage medium comprising a software program adapted to be executed by a processor for the steps of the nuclear magnetic based petroleum wax melting point determination method according to any one of claims 1-7.
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