CN106770015A - A kind of oil property detection method based on the similar differentiation of principal component analysis - Google Patents
A kind of oil property detection method based on the similar differentiation of principal component analysis Download PDFInfo
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- 238000000513 principal component analysis Methods 0.000 title claims abstract description 32
- 238000001514 detection method Methods 0.000 title claims abstract description 18
- 230000004069 differentiation Effects 0.000 title claims abstract description 16
- 238000000034 method Methods 0.000 claims abstract description 27
- 239000013598 vector Substances 0.000 claims abstract description 18
- 239000011159 matrix material Substances 0.000 claims abstract description 12
- 238000002329 infrared spectrum Methods 0.000 claims abstract description 6
- 238000004611 spectroscopical analysis Methods 0.000 claims abstract description 4
- 238000002835 absorbance Methods 0.000 claims description 15
- 238000001228 spectrum Methods 0.000 claims description 14
- 238000012937 correction Methods 0.000 claims description 11
- 238000010606 normalization Methods 0.000 claims description 6
- 238000004458 analytical method Methods 0.000 claims description 4
- 230000008901 benefit Effects 0.000 abstract description 4
- 239000003921 oil Substances 0.000 description 16
- TVMXDCGIABBOFY-UHFFFAOYSA-N octane Chemical compound CCCCCCCC TVMXDCGIABBOFY-UHFFFAOYSA-N 0.000 description 9
- 238000009825 accumulation Methods 0.000 description 3
- 230000000694 effects Effects 0.000 description 3
- 238000005516 engineering process Methods 0.000 description 2
- 230000003595 spectral effect Effects 0.000 description 2
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- 238000007796 conventional method Methods 0.000 description 1
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- 238000007781 pre-processing Methods 0.000 description 1
- 238000012847 principal component analysis method Methods 0.000 description 1
- 238000011160 research Methods 0.000 description 1
- 229920006395 saturated elastomer Polymers 0.000 description 1
- 239000007787 solid Substances 0.000 description 1
- 238000007619 statistical method Methods 0.000 description 1
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- G01N21/3577—Investigating relative effect of material at wavelengths characteristic of specific elements or molecules, e.g. atomic absorption spectrometry using infrared light for analysing liquids, e.g. polluted water
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Abstract
The present invention proposes a kind of oil property detection method based on the similar differentiation of principal component analysis, after the near infrared spectrum to sample carries out conventional pretreatment, the score matrix of spectroscopic data is obtained by principal component analysis, first three score vector for choosing score matrix constitutes new score matrix, according to calibration set Sample Storehouse and the score vector drawing three-dimensional principal component analysis figure of sample to be tested, length and width at high proportion 3 are drawn centered on sample to be tested in figure:2:1 cube frame so that number of samples in cube frame is 50 ± 5, and using these samples as sample to be tested similar sample, then the spectroscopic data according to similar sample set up partial least square model, finally treat survey sample properties and be predicted.The method energy is quick, Accurate Prediction oil property, is favorably improved Business Economic Benefit.
Description
Technical field
The present invention is a kind of oil property method for quick, specifically a kind of oil based on the similar differentiation of principal component analysis
Moral character quality detection method.
Background technology
At present, near-infrared spectral analytical method is widely used in oil property analysis, with traditional laboratory assay
Method is compared, and the method has the advantages that fast analyze speed, high precision and expends few.
Modeling method based on fractional sample, is a kind of effective ways that can improve model accuracy, its basic thought
It is：Chosen and one group of most like sample of sample to be tested from calibration set sample based on spectrum, it is then (i.e. local by these samples
Sample) obtain final predicting the outcome by statistical analysis or the bearing calibration of classics.Modeling strategy based on fractional sample is fitted
For the correction of Nonlinear system, while the advantage of Sample Storehouse can be made full use of, it is to avoid traditional factor-analysis approach is because of sample sets
Into the disadvantage for waiting variation to need frequent updating model.
Our early stages have pointed out a kind of octane value detection method based on similar differentiation, and the method is pre-processed to spectrum
Afterwards, the score matrix of absorbance matrix is calculated using principal component analysis (PCA) method, using accumulation contribution rate 85%-95%
Corresponding score vector constitutes new score matrix, and sample to be tested and spectrum number are calculated using Euclidean distance based on new score matrix
According to the spectrum intervals of sample in storehouse, and as the criterion of similar sample (i.e. fractional sample) is searched, select light spectrum distance
Partial least square model is set up as calibration samples from the similar sample less than threshold value, and sample to be tested is predicted.
The above method typically chooses the first two score vector of score matrix, calculates to be measured equivalent in two-dimensional coordinate figure
The spectrum intervals of sample in sample and spectra database.Inevitably, the first principal component and Second principal component, of some samples
It is very close, but the 3rd principal component has difference, and this causes the position distribution illusion in two-dimensional principal component analysis figure, in turn results in phase
Choose incorrect like sample, the precision for predicting the outcome is not ideal enough.
The content of the invention
In order to solve the above problems, the present invention proposes a kind of oil property detection based on the similar differentiation of principal component analysis
Method.
The present invention is comprised the following steps that：
(1) near infrared spectrum of oil product sample to be measured is obtained；
(2) conventional pretreatment is carried out to sample spectrum in oil product spectrum to be measured and calibration set；
(3) pretreated all spectroscopic datas are carried out into principal component analysis；
(4) according to the score matrix after principal component analysis, m score vector before choosing draws principal component analysis figure；
(5) according to principal component analysis figure, p similar sample of sample to be tested is chosen according to certain rule；
(6) model is set up using offset minimum binary according to similar sample；
(7) model by building up is predicted to the property of sample to be tested.
Preprocessing procedures are using baseline correction, wave band interception and vector normalizing.
On the premise of the principal character for being extracted spectrum, this method is wished accurate and chooses most like with sample to be tested facing
Nearly sample, therefore this method depicts three-dimensional principal component analysis figure, i.e., with first principal component as transverse axis, Second principal component, is vertical
Axle, the 3rd principal component is vertical pivot.
Because first principal component represents the maximum direction of absorbance matrix variation, Second principal component, takes second place, the 3rd principal component
Third, therefore this method draws cube frame in principal component analysis figure, the length and width of cube frame are at high proportion 3:2:1, will
Positioned at cube inframe sample as sample to be tested similar sample.
This method chooses 50 similar samples, i.e. p=50 ± 5.
Beneficial effect：
Detection method provided by the present invention is based on oil product near infrared spectrum, using principal component analysis combination offset minimum binary
Method is modeled, and realizes the quick detection of oil property.Compared with general modeling method, this method can quickly and more Accurate Prediction
The octane number of oil property, such as gasoline product, density, saturated vapour pressure, contribute to the vehicle air-conditioning of Petrochemical Enterprises,
And then improve the economic benefit of enterprise.
Brief description of the drawings
Fig. 1 is based on the oil property detection method flow chart of the similar differentiation of principal component analysis
Distribution of Fig. 2 octane numbers to be measured in principal component analysis figure
Specific embodiment
The present invention is further illustrated with case study on implementation below in conjunction with the accompanying drawings.
The present invention introduces the oil property detection method based on the similar differentiation of principal component analysis by taking certain 92# product oil as an example.
Table 1 is the numbering and its corresponding research octane number (RON) (RON) of certain all sample of 92# product oils.
Certain the 92# product oils sample number of table 1 and corresponding RON
In table 1, the sample of numbering 95#-1~290 is used as calibration set sample, the sample conduct of numbering 95#-291~300
Sample to be tested.Below by taking numbering 95#-291 samples to be tested as an example, the detailed process of present invention prediction octane number is illustrated：
The first step：Sample to numbering 95#-1~291 carries out Pretreated spectra, including baseline correction, spectrogram interception and arrow
Amount normalization.
First, baseline correction uses two-point method baseline correction, chooses 6400cm-1And 9200cm-1Two wave numbers o'clock are used as two bases
Point, the absorbance after baseline correction is calculated by following formula：
In formula, xiIt is gasoline in the wave number of near infrared spectrum；kxi+ b was 6400cm-1And 9200cm-12 points of straight line
Equation, wherein k are the straight slope, and b is the Linear intercept；yiRepresent former spectrogram in wave number xiUnder absorbance；yi *Represent base
Spectrogram is in wave number x after line correctioniUnder absorbance.
Secondly, 4000cm is intercepted-1~4800cm-1Spectrogram in wave number section.
Finally, vector normalization is calculated using following formula：
In formula, XijRefer to absorbance of i-th sample under wave number j；Refer to i-th absorbance values of sample；m
It is the number of wave number point；Xij *Represent absorbance of i-th sample after vector normalization under wave number j.
Second step：After carrying out above-mentioned pretreatment to the spectral data of the gasoline sample of numbering 95#-1~291, by it is main into
Divide analysis to obtain score matrix, and choose preceding 3 score vectors, as shown in table 2.
The numbering of table 2 is the score vector of the spectrum of the gasoline sample of 95#-1~291
Fig. 2 be the gasoline sample to be measured of numbering 92#-291 in the position of PCA distribution maps, the triangle mark seen in Fig. 2, most
Whole cube frame has also shown in figure.
3rd step：The sample of cube inframe as the similar sample of 92#-291 will be located at.The numbering of these similar samples
And property laboratory values are as shown in table 3.
The similar sample number and RON of the gasoline sample of the numbering 92#-291 of table 3
4th step：The absorbance data of the similar sample in table 3 sets up model using offset minimum binary, then right
The RON of 92#-291 samples is predicted, and it is 92.16 to predict the outcome, and octane number laboratory values are 92.2, and predicated error is only 0.04.
In order to prediction effect of the invention is better described, to above-mentioned 92# product oils Sample Storehouse and sample to be tested, with me
Early stage application a kind of side that is proposed of patent " octane value detection method based on similar differentiation " (A of CN 104990893)
Method is contrasted.Table 4 gives predicting the outcome for two methods and compares.
Predicting the outcome for the two methods of table 4 is compared
Appreciation gist root-mean-square error for final result of the invention, i.e. RMSE.RMSE is calculated by following formula：
In formula, np is the number of gasoline sample to be measured；Refer to i-th octane number predicted value of gasoline to be measured；xiRefer to i-th
The octane number laboratory values of gasoline to be measured.RMSE value is smaller, illustrates that the accuracy of prediction is higher, and prediction effect is better.
It is computed, the RMSE of new method is 0.2086, and former method is 0.2232.It can be seen that, although former method is more conventional
Method for quick has more excellent performance, and the method for the invention precision on the basis of former method has and further carries
Rise.
Although technical scheme disclosed in the A of CN 104990893 is generally to choose sample in two-dimensional coordinate figure,
Seem the technical inspiration for giving and sample selection being carried out with three-dimensional coordinate figure.But be emphasized that the A institutes of CN 104990893
Selection the first two score vector carries out sample selection and is drawn in 85%~95% by calculating accumulation contribution rate, and non-straight
Selecting take (if exist the first two score vector accumulation contribution rate be unsatisfactory for requirement extend to first three, four ... individual score vectors
May)；And the scheme of the application is clearly to carry out solid space with first three score vector to divide to choose sample.The two thinking
Entirely different, can put together carries out Contrast on effect, but to each other can't generation technology enlightenment.
Claims (7)
1. a kind of oil property detection method based on the similar differentiation of principal component analysis, it is characterised in that have steps of：
(1) near infrared spectrum of oil product sample to be measured is obtained；
(2) conventional pretreatment is carried out to sample spectrum in oil product spectrum to be measured and calibration set；
(3) pretreated all spectroscopic datas are carried out into principal component analysis；
(4) according to the score matrix after principal component analysis, m score vector before choosing draws principal component analysis figure；
(5) according to principal component analysis figure, p similar sample of sample to be tested is chosen according to certain rule；
(6) model is set up using offset minimum binary according to similar sample；
(7) model by building up is predicted to the property of sample to be tested.
2. a kind of oil property detection method based on the similar differentiation of principal component analysis according to claim 1, its feature
Be m=3, i.e., with first principal component as transverse axis, Second principal component, is the longitudinal axis, the 3rd principal component is vertical pivot, drawing three-dimensional it is main into
Divide analysis chart.
3. a kind of oil property detection method based on the similar differentiation of principal component analysis according to claim 2, its feature
It is that certain rule is：Centered on sample to be tested, cube frame is drawn in principal component analysis figure, positioned at cube frame
Interior sample as sample to be tested similar sample.
4. a kind of oil property detection method based on the similar differentiation of principal component analysis according to claim 3, its feature
The length and width for being cube frame are at high proportion 3:2:1.
5. a kind of oil property detection method based on the similar differentiation of principal component analysis according to claim 1, its feature
It is p=50 ± 5.
6. a kind of oil property detection method based on the similar differentiation of principal component analysis according to claim 1, its feature
It is that the conventional pretreatment includes baseline correction, spectrogram interception and vector normalization.
7. a kind of oil property detection method based on the similar differentiation of principal component analysis according to claim 6, its feature
It is the conventional pretreatment,
First：Baseline correction uses two-point method baseline correction, chooses 6400cm-1And 9200cm-1Two wave numbers o'clock are used as two basic points, base
Absorbance after line correction is calculated by following formula：
In formula, xiIt is gasoline in the wave number of near infrared spectrum；kxi+ b was 6400cm-1And 9200cm-12 points of straight line side
Journey, wherein k are the straight slope, and b is the Linear intercept；yiRepresent former spectrogram in wave number xiUnder absorbance；Represent baseline school
Spectrogram is in wave number x after justiUnder absorbance；
Secondly, 4000cm is intercepted-1~4800cm-1Spectrogram in wave number section；
Finally, vector normalization is calculated using following formula：
In formula, XijRefer to absorbance of i-th sample under wave number j；Refer to i-th absorbance values of sample；M is wave number
The number of point；Xij *Represent absorbance of i-th sample after vector normalization under wave number j.
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Cited By (8)
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| CN107179293A (en) * | 2017-06-23 | 2017-09-19 | 南京富岛信息工程有限公司 | A kind of assessment method of oil property uncertainty |
| CN107271400A (en) * | 2017-06-23 | 2017-10-20 | 南京富岛信息工程有限公司 | A kind of method of automatic addition calibration set sample |
| CN107356535A (en) * | 2017-06-12 | 2017-11-17 | 湖北久之洋红外系统股份有限公司 | A kind of marine oil overflow detection method based on spectral imaging technology |
| CN107505282A (en) * | 2017-08-28 | 2017-12-22 | 南京富岛信息工程有限公司 | A kind of method for improving oil product near-infrared modeling robustness |
| CN108226093A (en) * | 2018-01-11 | 2018-06-29 | 南京富岛信息工程有限公司 | A kind of atmospheric and vacuum distillation unit model parameter automatically selects and bearing calibration |
| CN111474134A (en) * | 2020-04-24 | 2020-07-31 | 驻马店华中正大有限公司 | Method for controlling butyric acid fermentation by using online near infrared |
| CN113433088A (en) * | 2021-06-25 | 2021-09-24 | 南京富岛信息工程有限公司 | Fine monitoring method for oil mixing section of crude oil long-distance pipeline |
| CN115060687A (en) * | 2022-08-18 | 2022-09-16 | 南京富岛信息工程有限公司 | Tax administration method for finished oil production enterprise |
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Cited By (9)
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|---|---|---|---|---|
| CN107356535A (en) * | 2017-06-12 | 2017-11-17 | 湖北久之洋红外系统股份有限公司 | A kind of marine oil overflow detection method based on spectral imaging technology |
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| CN107271400A (en) * | 2017-06-23 | 2017-10-20 | 南京富岛信息工程有限公司 | A kind of method of automatic addition calibration set sample |
| CN107505282A (en) * | 2017-08-28 | 2017-12-22 | 南京富岛信息工程有限公司 | A kind of method for improving oil product near-infrared modeling robustness |
| CN108226093A (en) * | 2018-01-11 | 2018-06-29 | 南京富岛信息工程有限公司 | A kind of atmospheric and vacuum distillation unit model parameter automatically selects and bearing calibration |
| CN111474134A (en) * | 2020-04-24 | 2020-07-31 | 驻马店华中正大有限公司 | Method for controlling butyric acid fermentation by using online near infrared |
| CN113433088A (en) * | 2021-06-25 | 2021-09-24 | 南京富岛信息工程有限公司 | Fine monitoring method for oil mixing section of crude oil long-distance pipeline |
| CN115060687A (en) * | 2022-08-18 | 2022-09-16 | 南京富岛信息工程有限公司 | Tax administration method for finished oil production enterprise |
| CN115060687B (en) * | 2022-08-18 | 2022-11-08 | 南京富岛信息工程有限公司 | Tax administration method for finished oil production enterprise |
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