CN110646404A - Method for measuring solvent index of tobacco essence - Google Patents

Method for measuring solvent index of tobacco essence Download PDF

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CN110646404A
CN110646404A CN201911025992.2A CN201911025992A CN110646404A CN 110646404 A CN110646404 A CN 110646404A CN 201911025992 A CN201911025992 A CN 201911025992A CN 110646404 A CN110646404 A CN 110646404A
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matrix
solvent
solvent index
essence
spectral
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彭军仓
王瑶
康世平
吕娟
何育萍
黄扬明
闵顺耕
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China Tobacco Shaanxi Industrial Co Ltd
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Abstract

The invention discloses a method for measuring the solvent index of tobacco essence, which obtains a spectrum matrix and a numerical matrix of an essence sample by obtaining a Raman spectrogram of the tobacco essence and the solvent index value of the tobacco essence, obtaining the spectrum matrix component and the numerical matrix component of which the spectrum matrix and the numerical matrix accord with the maximum variance through a partial least square method, establishing a corresponding mathematical model of the solvent index value and the near-Raman spectrogram of the tobacco flavor and fragrance according to all the obtained spectrum matrix components and numerical matrix components, the solvent index value of the essence can be obtained only by acquiring a Raman spectrum numerical value doctor mathematical model of the essence which needs to measure the solvent index, the method of the invention is simple, the Raman spectrum of the tobacco essence perfume can be accurately obtained through the Raman spectrum method, the detection precision is high, and the determination of the solvent index content of the tobacco essence perfume can be rapidly and accurately realized.

Description

Method for measuring solvent index of tobacco essence
Technical Field
The invention relates to the technical field of tobacco, in particular to a method for measuring indexes of tobacco essence and flavor solvents.
Background
The tobacco essence perfume has the functions of improving the smoking quality of cigarettes and endowing the cigarettes with characteristic fragrance, and is an important factor forming the brand style of the cigarettes. Whether the quality of different batches of products is stable or not is closely related to the quality stability of cigarette products. However, the complexity and diversity of chemical components of the formed flavors and fragrances are always the key and difficult points of quality control due to the influence of various factors such as raw materials and processing. Therefore, the quality of the tobacco flavor and fragrance needs to be comprehensively evaluated, and in the tobacco industry, the quality can be divided into 7 indexes including physical indexes (solvent indexes and refractive index), chemical indexes (solvent indexes and acid value) and solvent indexes (ethanol, propylene glycol and glycerol). Wherein the chemical indexes for evaluating whether the quality of the essence and the spice is stable comprise a solvent index and an acid value. The traditional method for testing the indexes of ethanol, 1, 2-propylene glycol and glycerol has industrial standards, is YC/T242-2008 gas chromatography for measuring the contents of essence ethanol, 1, 2-propylene glycol and glycerol for cigarettes, and has the problems of low testing speed, complex sample pretreatment and incapability of meeting the requirements of analysts, and large error of a measuring result due to interference of subjective factors when the color of a sample changes.
Disclosure of Invention
The invention aims to provide a method for measuring indexes of tobacco essence solvents, which overcomes the defects of the prior art.
In order to achieve the purpose, the invention adopts the following technical scheme:
a method for measuring the indexes of tobacco essence solvents comprises the following steps:
step 1), obtaining a Raman spectrogram of the essence and spice sample, and obtaining a spectral matrix E of the essence and spice sample according to the obtained Raman spectrogram;
step 2), obtaining a solvent index value of the essence and spice sample, and establishing a solvent index numerical matrix F of the essence and spice sample according to the solvent index value of the essence and spice sample;
step 3), establishing a solvent index model of the tobacco essence perfume based on a partial least square method:
standardizing the spectrum matrix E to obtain the standardized spectrum matrix EiStandardizing the solvent index value matrix F to obtain a standardized solvent index value matrix FiIn the spectral matrix EiExtracting the spectral matrix component tiIn the solvent index value matrix FiMedium extraction solvent index value matrix component uiMaking the acquired spectral matrix component tiAnd a solvent index value matrix component uiThe maximum variance is met, i.e.:
Cov(ti,ui)–>max；
cov is the covariance sign, max is the maximum sign;
establishing spectral matrix components tiAnd a solvent index value matrix component uiMaximum variance expression of (2):
max<EiWi+1,FiCi+1>；
Wi+1is a spectral weight coefficient, Ci+1Is a numerical weight coefficient;
obtaining W through Lagrange solutioni+1And Ci+1Value, where Wi+1||＝1；||Ci+1||＝1,i≥0；
According to Wi+1And Ci+1The spectrum matrix component t with the maximum variance is obtained by inverse solutioniAnd a solvent index value matrix component ui；
According to the obtained spectral matrix component tiEstablishing a spectral matrix EiSpectral residual matrix E ofi-1For the spectral matrix component tiAccording to the regression equation of the solvent index value matrix component uiEstablishing a solvent index value matrix FiNumerical residual matrix F ofi-1Component u of solvent index value matrixiThe regression equation of (a):
Ei-1＝ti×p’i+Ei
Fi-1＝ui×q’i+Fi
Fi-1＝ti×r’i+Fi
wherein:
Figure BDA0002248632890000032
in the formula, piIs a spectral matrix EiOf the ith load vector, qiIndex the value matrix F for the solventiOf the ith load vector, riIs tiAnd uiThe relationship vector of (1);
obtaining a spectrum residual error matrix E according to the abovei-1Sum value residual error matrix Fi-1Obtaining a spectral matrix component ti-nSolvent index value matrix component ui-nSpectrum residual matrix Ei-nSum value residual error matrix Fi-n，nThe number of main components is used as a solvent index;
according to the acquired spectral matrix component ti-nAnd a solvent index number matrix component ui-nEstablishing a spectral matrix EiAnd a solvent index value matrix FiThe regression expression of (1):
Ei＝tip’i+ti-1p’i-1+...+tAp’A
Fi＝tir’i+ti-1r’i-1+...+tAr’A+FA
a is a spectral matrix EiAnd a solvent index value matrix FiThe rank of (d); t is t1,…,tARepresents E1，E2，…，EAThe linear combination of (a) and (b),
obtaining a solvent index expression:
in the formula, y*Is the index value of the solvent, F(i-n)kAs a numerical residual matrix Fi-nThe kth line of (1); wherein { ak1,ak2,...,akmThe values of the regression coefficients are obtained; x is the number of1，x2，…，xmThe Raman spectrum data value of the essence and spice to be detected is obtained; and substituting the Raman spectrum data value of the essence and spice to be detected into the solvent index expression to obtain the solvent index value of the essence and spice to be detected.
Further, in the step 1), the essence and spice sample is dropped on an optical bench for Raman test, so as to obtain a Raman spectrogram of the essence and spice for the cigarette.
Further, the spectrometer parameters for performing the raman test are: the scanning times are 2-64 times, the integration time is 500-5000 ms, and the wavelength range is 152cm-1～2488cm-1。
Further, the acquisition mode of the Raman spectrogram comprises attenuated total reflection, transmission, diffuse reflection and diffuse transflectance.
Further, in the step 2), the solvent index value of the tobacco flavor is determined by adopting a gas chromatograph, and the solvent index value comprises an ethanol value, a 1, 2-propylene glycol value and a glycerol value.
Further, the numerical matrix F includes an ethanol value numerical matrix, a 1, 2-propanediol value numerical matrix, or a glycerol value numerical matrix.
Further, in step 3), data standardization processing is performed on the spectral matrix E to obtain a standardized spectral matrix Ei(n × m), n is the number of samples, and m is the dimension.
Further, subtracting the mean value of a dimension variable from each spectrum matrix and dividing the mean value by the standard deviation of the dimension to complete the spectrum matrix EiThe data normalization process of (1).
Further, the term "solvent" meansMarking the data matrix F after the data standardization processing of the scalar value matrix F as Fi(n×p)，p＝1。
Furthermore, the data standardization processing of the solvent index value matrix can be completed by subtracting the mean value of a dimension variable from each solvent index value matrix and dividing the mean value by the standard deviation of the dimension.
Compared with the prior art, the invention has the following beneficial technical effects:
the invention relates to a method for measuring solvent indexes of tobacco essence, which comprises the steps of obtaining a spectrum matrix and a solvent index value matrix of an essence sample by obtaining a Raman spectrogram of the tobacco essence and the solvent index value of the tobacco essence, establishing a solvent index model of the tobacco essence according to the spectrum matrix and the solvent index value matrix based on a partial least square method, obtaining a spectrum matrix component and a solvent index value matrix component of which the spectrum matrix and the solvent index value matrix accord with the maximum variance by the partial least square method, sequentially obtaining the spectrum matrix component and the solvent index value matrix component of the residual main component quantity by removing a residual error matrix after the spectrum matrix component and the solvent index value matrix component accord with the maximum variance are removed, obtaining the vibration frequency and the vibration energy level condition in a solvent molecule by adopting the Raman spectrogram and the Raman spectrum, the solvent molecular spectrogram is obviously distinguished from other molecular spectrograms, which is beneficial to establishing a corresponding mathematical model of the solvent index value and the spectrogram of the tobacco essence perfume, and then the solvent index value of the essence perfume can be obtained by only acquiring the spectral value of the essence perfume needing to be measured and substituting the spectral value into the mathematical model.
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FIG. 1 is a flow chart of the present invention.
FIG. 2 is a spectrum of a sample of the tobacco flavor and fragrance of example 1 of the present invention.
Detailed Description
The invention is described in further detail below with reference to the accompanying drawings:
as shown in figure 1, the method for measuring the indexes of the tobacco essence and the solvent comprises the following steps:
step 1), obtaining a Raman spectrogram of the essence and spice sample, and obtaining a spectral matrix E of the essence and spice sample according to the obtained Raman spectrogram;
specifically, the essence and spice samples are dropped on an optical bench for Raman test to obtain a Raman spectrogram of the essence and spice for the cigarettes.
Specifically, the parameters of the spectrometer for performing the raman test are as follows: the scanning times are 2-64 times, the integration time is 500-5000 ms, and the wavelength range is 152cm-1～2488cm-1。
The Raman spectrogram acquisition mode comprises transmission, diffuse reflection and diffuse transflection;
step 2), obtaining a solvent index value of the essence and spice sample, and establishing a solvent index numerical matrix F of the essence and spice sample according to the solvent index value of the essence and spice sample;
specifically, a gas chromatograph is adopted to measure the solvent index value of the tobacco flavor and fragrance;
step 3), respectively establishing solvent index models of the tobacco flavors and fragrances based on a partial least square method: combining the spectrum matrix of the essence and spice sample with the solvent index numerical matrix to establish an essence and spice solvent index model for the cigarette;
firstly, carrying out data standardization processing on the spectrum matrix E to obtain the spectrum matrix E after standardization processingi(nxm), wherein n is the number of samples, and m is the dimensionality;
the data matrix obtained after the solvent index numerical value matrix F is subjected to data standardization treatment is recorded as Fi(n×p，p＝1)；
Specifically, the method comprises the following steps: and (3) carrying out data standardization processing on the spectral matrix E: that is, the mean value of one dimension variable subtracted from each spectrum matrix is divided by the standard deviation of the dimension to complete the spectrum matrix EiThe data standardization processing of (2);
specifically, the method comprises the following steps: carrying out data standardization treatment on the solvent index numerical value matrix F: i.e. each oneThe solvent index value matrix F can be completed by subtracting the mean value of a dimension variable from the solvent index value matrix and dividing the mean value by the standard deviation of the dimensioniThe data standardization processing of (2);
in the spectral matrix EiExtracting the spectral matrix component tiIn the solvent index value matrix FiMedium extraction solvent index value matrix component ui；
Solvent index number matrix FiSpecifically, a solvent index value and solvent index value numerical matrix of an essence and spice sample;
the spectrum matrix EiAs an independent variable matrix, each row is a spectrum, and each column is a dimension variable;
the solvent index value matrix FiAs a dependent variable matrix, a matrix of solvent index values FiOnly one column;
calculating the spectral matrix component t meeting the maximum varianceiAnd a solvent index value matrix component uiNamely:
Cov(ti,ui)–>max；
cov is the covariance sign, max is the maximum sign;
spectral matrix component tiIs a spectral matrix EiLinear combination of, i.e. ti＝EiWi+1，Wi+1Is a spectral weight coefficient, and similarly, a solvent index value matrix component uiIs a matrix F of solvent index valuesiLinear combination of (1), ui＝FiCi+1，Ci+1Is a numerical weight coefficient, Wi+1And Ci+1The same is a unit vector;
establishing spectral matrix components tiAnd a solvent index value matrix component uiThe maximum variance of (c) is expressed as:
max<EiWi+1,FiCi+1>
Wi+1is a matrix Ei＇FiFi＇EiThe eigenvector corresponding to the largest eigenvalue, Ci+1Is a matrix Ei＇FiFi＇EiThe maximum eigenvector corresponding to the maximum eigenvalue can be solved by Lagrange to obtain Wi+1And Ci+1Value, Wi+1And Ci+1Are uniformly unitized, wherein | | Wi+1||＝1；||Ci+1||＝1，i≥0；
According to the acquired Wi+1And Ci+1The spectrum matrix component t with the maximum variance is obtained by inverse solutioniAnd a solvent index value matrix component ui(ii) a According to the acquired spectral matrix component tiAnd a solvent index value matrix component uiEstablishing a regression equation:
according to the obtained spectral matrix component tiEstablishing a spectral matrix EiSpectral residual matrix E ofi-1For the spectral matrix component tiAccording to the regression equation of the solvent index value matrix component uiEstablishing a solvent index value matrix FiNumerical residual matrix F ofi-1Component u of solvent index value matrixiThe regression equation of (a):
Ei-1＝ti×p’i+Ei
Fi-1＝ui×q’i+Fi
Fi-1＝ti×r’i+Fi
in the formula, piIs a spectral matrix EiOf the ith load vector, qiIndex the value matrix F for the solventiOf the ith load vector, riIs tiAnd uiThe relationship vector of (1); ei-1Is a spectral matrix EiSpectral residual matrix of (F)i-1Index the value matrix F for the solventiThe numerical residual matrix of (2);
the regression coefficient vector is calculated as follows:
Figure BDA0002248632890000071
Figure BDA0002248632890000072
Figure BDA0002248632890000081
spectral residual matrix Ei-1I.e. from the spectral matrix EiRemoving solved spectral matrix component tiThe residual spectrum matrix and the numerical residual error matrix Fi-1I.e. from the solvent index value matrix FiRemoving solved solvent index value matrix component uiThe index value matrix of the residual solvent;
from the spectral residual matrix E, respectivelyi-1Sum value residual error matrix Fi-1Extracting the spectral matrix component t meeting the maximum variance requirementi-1And a solvent index number matrix component ui-1Establishing a spectrum residual error matrix Ei-1Spectral residual matrix E ofi-2For the spectral matrix component ti-1To establish a numerical residual matrix Fi-1Numerical residual matrix F ofi-2Component u of solvent index value matrixi-1To obtain a spectrum residual error matrix Ei-2Sum value residual error matrix Fi-2Repeating the above steps to obtain the spectral matrix component ti-nSolvent index value matrix component ui-nSpectrum residual matrix Ei-nSum value residual error matrix Fi-n，nThe number of main components is used as a solvent index;
spectral residual matrix Ei-2I.e. from the spectral matrix Ei-1Removing solved spectral matrix component ti-1The residual spectrum matrix and the numerical residual error matrix Fi-2I.e. from the solvent index value matrix Fi-1Removing solved solvent index value matrix component ui-1The index value matrix of the residual solvent;
according to the acquired spectral matrix component ti-nAnd a solvent index number matrix component ui-nEstablishing a spectral matrix EiAnd a solvent index value matrix FiThe regression expression of (1):
Ei＝tip’i+ti-1p’i-1+...+tAp’A
Fi＝tir’i+ti-1r’i-1+...+tAr’A+FA
a is a spectral matrix EiAnd a solvent index value matrix FiThe rank of (d); t is t1,…,tARepresents E1，E2，…，EAThe linear combination of (a) and (b),
obtaining a solvent index expression:
Figure BDA0002248632890000082
in the formula, y*Is the index value of the solvent, F(i-n)kAs a numerical residual matrix Fi-nThe kth line of (1); wherein { ak1,ak2,...,akmThe values of the regression coefficients are obtained; x is the number of1，x2，…，xmThe Raman spectrum data value of the essence and spice to be detected is obtained; substituting the spectral data value of the essence and flavor to be detected into the solvent index expression to obtain the solvent index value of the essence and flavor to be detected.
The solvent index value of the sample to be detected can be calculated and obtained by acquiring the Raman spectrogram data of the sample to be detected and using the formula based on the Raman spectrogram data.
The modeling accuracy was evaluated by the correction decision coefficient (R2_ Cal), the prediction decision coefficient (R2_ Pre), the cross validation Root Mean Square Error (RMSECV), and the prediction Root Mean Square Error (RMSEP):
r2_ Cal and R2_ PRE are calculated as follows:
the RMSECV calculation is as follows:
Figure BDA0002248632890000092
the RMSEP calculation formula is as follows:
Figure BDA0002248632890000093
in the formula, yi,actualThe ith correction set and verification set is the measured values of the tobacco flavor ethanol, 1, 2-propylene glycol and glycerol;the average value of the measured values of the samples in the correction set and the verification set is obtained; y isi,predictedThe method is a predicted value of the ith sample in the prediction process, n is the spectrum number of the sample in the correction set, and m is the spectrum number of the sample in the verification set.
Generally, the closer R2_ Cal and R2_ Pres are to 1, the better, the closer RMSECV and RMSEP are to 0, the better.
Example 1
The adopted equipment comprises the following steps: portable raman spectrometer with 1064nm laser, obstetrician: b is&W TEK, a Raman fiber probe attached to a test sample spectrum, and a diffuse reflection method. Wavelength range of 152cm-1～2488cm-1. The instrument integration time was 5000ms and the number of scans was 4. The total number of flavor and fragrance materials for cigarettes participating in modeling is 355 batches.
The spectrum of the tobacco flavor sample is shown in figure 2. And establishing a relation between The spectral data and The actually measured data of The corresponding reference method by using The Unscrambler partial least square module. The calibration set is used for establishing a model, the verification set is used for verifying the model, and the model is evaluated according to four indexes of R2_ Cal, R2_ Pre, RMSECV and RMSEP, and the results are shown in the following table 1. It can be found that R2_ Cal and R2_ Pre are close to 1, and RMSECV and RMSEP are close to 0, which indicates that when the spectrum is not processed by the preprocessing method, the correction set model has good prediction effect and high prediction accuracy.
TABLE 1
Example 2
The adopted equipment comprises the following steps: portable raman spectrometer with 1064nm laser, obstetrician: b is&W TEK, a Raman fiber probe attached to a test sample spectrum, and a diffuse reflection method. Wavelength range of 152cm-1～2488cm-1. The instrument integration time was 5000ms and the number of scans was 4. The total number of flavor and fragrance materials for cigarettes participating in modeling is 355 batches.
At The moment, The spectral data is preprocessed by adopting standard normal variable transformation, and a relationship is established between The spectral data (after being preprocessed) and reference method data corresponding to The spectral data by using a partial least square module of The Unscrambler. The calibration set is used for establishing a model, the verification set is used for verifying the model, and the model is evaluated according to four indexes of R2_ Cal, R2_ Pre, RMSECV and RMSEP, and the results are shown in the following table 2. It can be found that R2_ Cal and R2_ Pre are close to 1, and RMSECV and RMSEP are close to 0, which shows that when the spectrum is processed by the preprocessing method, the correction set model has good prediction effect and high prediction accuracy.
TABLE 2
Figure BDA0002248632890000111
According to the implementation cases, the invention provides a novel method for rapidly determining the solvent index of the tobacco essence perfume, which is used for quality control of the tobacco essence perfume. Sampling and storing the tobacco essence perfume, and acquiring a near Raman spectrum; measuring the solvent index (ethanol, 1, 2-propylene glycol and glycerol) value of the tobacco essence perfume by adopting a tobacco industry standard method; establishing a relation between the solvent index and the spectral data by combining a partial least square method and taking the relation as a correction set model; and predicting three index values of the samples which do not participate in modeling. The model is verified by four indexes of R2_ Cal, R2_ Pre, RMSECV and RMSEP. The two examples show that the prediction capability of the near-Raman spectroscopy on the solvent index of the tobacco flavor is good, so that the solvent index of the tobacco flavor can be rapidly, accurately and in situ measured.

Claims (10)

1. A method for measuring indexes of tobacco essence solvents is characterized by comprising the following steps:
step 1), obtaining a Raman spectrogram of the essence and spice sample, and obtaining a spectral matrix E of the essence and spice sample according to the obtained Raman spectrogram;
step 2), obtaining a solvent index value of the essence and spice sample, and establishing a solvent index numerical matrix F of the essence and spice sample according to the solvent index value of the essence and spice sample;
step 3), establishing a solvent index model of the tobacco essence perfume based on a partial least square method:
standardizing the spectrum matrix E to obtain the standardized spectrum matrix EiStandardizing the solvent index value matrix F to obtain a standardized solvent index value matrix FiIn the spectral matrix EiExtracting the spectral matrix component tiIn the solvent index value matrix FiMedium extraction solvent index value matrix component uiMaking the acquired spectral matrix component tiAnd a solvent index value matrix component uiThe maximum variance is met, i.e.:
Cov(ti,ui)–>max；
cov is the covariance sign, max is the maximum sign;
establishing spectral matrix components tiAnd a solvent index value matrix component uiMaximum variance expression of (2):
max<EiWi+1,FiCi+1>；
Wi+1is a spectral weight coefficient, Ci+1Is a numerical weight coefficient;
obtaining W through Lagrange solutioni+1And Ci+1Value, where Wi+1||＝1；||Ci+1||＝1,i≥0；
According to Wi+1And Ci+1The spectrum matrix component t with the maximum variance is obtained by inverse solutioniAnd a solvent index value matrix component ui；
According to the obtained spectral matrix component tiEstablishing a spectral matrix EiSpectral residual matrix E ofi-1For the spectral matrix component tiAccording to the regression equation of the solvent index value matrix component uiEstablishing a solvent index value matrix FiNumerical residual matrix F ofi-1Component u of solvent index value matrixiThe regression equation of (a):
Ei-1＝ti×p’i+Ei
Fi-1＝ui×q’i+Fi
Fi-1＝ti×r’i+Fi
wherein:
Figure FDA0002248632880000021
Figure FDA0002248632880000022
Figure FDA0002248632880000023
in the formula, piIs a spectral matrix EiOf the ith load vector, qiIndex the value matrix F for the solventiOf the ith load vector, riIs tiAnd uiThe relationship vector of (1);
obtaining a spectrum residual error matrix E according to the abovei-1Sum value residual error matrix Fi-1Obtaining a spectral matrix component ti-nSolvent index value matrix component ui-nSpectrum residual matrix Ei-nSum value residual error matrix Fi-n，nThe number of main components is used as a solvent index;
according to the acquired spectral matrix component ti-nAnd a solvent index number matrix component ui-nEstablishing a spectral matrix EiAnd a solvent index value matrix FiThe regression expression of (1):
Ei＝tip’i+ti-1p’i-1+...+tAp’A
Fi＝tir’i+ti-1r’i-1+...+tAr’A+FA
a is a spectral matrix EiAnd a solvent index value matrix FiThe rank of (d); t is t1,…,tARepresents E1，E2，…，EAThe linear combination of (a) and (b),
obtaining a solvent index expression:
Figure FDA0002248632880000024
in the formula, y*Is the index value of the solvent, F(i-n)kAs a numerical residual matrix Fi-nThe kth line of (1); wherein { ak1,ak2,...,akmThe values of the regression coefficients are obtained; x is the number of1，x2，…，xmThe Raman spectrum data value of the essence and spice to be detected is obtained; and substituting the Raman spectrum data value of the essence and spice to be detected into the solvent index expression to obtain the solvent index value of the essence and spice to be detected.
2. The method for measuring the solvent index of the tobacco flavor and fragrance according to claim 1, characterized in that in the step 1), the flavor and fragrance sample is dropped on an optical bench for Raman test to obtain a Raman spectrum of the tobacco flavor and fragrance.
3. The method for measuring the relative density of the tobacco flavor and fragrance as claimed in claim 2, wherein the parameters of a spectrometer for performing Raman test are as follows: the scanning times are 2-64 times, the integration time is 500-5000 ms, and the wavelength range is 152cm-1～2488cm-1。
4. The method for measuring the relative density of the tobacco flavor and fragrance as claimed in claim 1, wherein the numerical matrix F comprises an ethanol value numerical matrix, a 1, 2-propanediol value or a glycerol value numerical matrix.
5. The method for measuring the solvent index of the essence for the cigarettes according to claim 2, wherein the Raman spectrogram collection mode comprises transmission, diffuse reflection and diffuse transflection.
6. The method for measuring the solvent index of the tobacco flavor and fragrance as claimed in claim 1, wherein in the step 2), a gas chromatograph is adopted to measure the solvent index of the tobacco flavor and fragrance.
7. The method for measuring the indexes of the tobacco essence and the solvent according to claim 1, wherein in the step 3), the spectral matrix E is subjected to data standardization treatment to obtain the standardized spectral matrix Ei(n × m), n is the number of samples, and m is the dimension.
8. The method for measuring indexes of tobacco flavor and fragrance solvents according to claim 7, characterized in that the spectrum matrix E is completed by subtracting the mean value of a dimension variable from each spectrum matrix and then dividing the mean value by the standard deviation of the dimensioniThe data normalization process of (1).
9. The method for measuring the solvent index of the essence for tobacco according to claim 1, wherein a data matrix obtained by carrying out data standardization processing on a solvent index numerical matrix F is recorded as Fi(n×p)，p＝1。
10. The method for measuring the solvent indexes of the tobacco flavor and fragrance as claimed in claim 9, wherein the data standardization of the solvent index value matrix can be completed by subtracting the mean value of a dimension variable from each solvent index value matrix and dividing the mean value by the standard deviation of the dimension.
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Citations (6)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
US6058940A (en) * 1997-04-21 2000-05-09 Lane; Kerry Scott Method and system for assay and removal of harmful toxins during processing of tobacco products
KR20050078924A (en) * 2004-02-03 2005-08-08 재단법인서울대학교산학협력재단 Urine component analysis system and method by raman spectroscopy
CN105486674A (en) * 2015-12-28 2016-04-13 浙江中烟工业有限责任公司 Method for simultaneously determining content of 1,2-propylene glycol and glycerol in tobacco liquid of electronic cigarettes
CN105974017A (en) * 2016-05-09 2016-09-28 湖北中烟工业有限责任公司 Method for detecting content of methanol in tobacco flavor
CN107727640A (en) * 2017-12-08 2018-02-23 浙江中烟工业有限责任公司 A kind of method for differentiating essence spice for cigarette using SERS method
CN109991206A (en) * 2019-04-10 2019-07-09 西安石油大学 One kind is based on Partial Least Squares to the total alcohol content method for measuring of alcohol gasoline

Patent Citations (6)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
US6058940A (en) * 1997-04-21 2000-05-09 Lane; Kerry Scott Method and system for assay and removal of harmful toxins during processing of tobacco products
KR20050078924A (en) * 2004-02-03 2005-08-08 재단법인서울대학교산학협력재단 Urine component analysis system and method by raman spectroscopy
CN105486674A (en) * 2015-12-28 2016-04-13 浙江中烟工业有限责任公司 Method for simultaneously determining content of 1,2-propylene glycol and glycerol in tobacco liquid of electronic cigarettes
CN105974017A (en) * 2016-05-09 2016-09-28 湖北中烟工业有限责任公司 Method for detecting content of methanol in tobacco flavor
CN107727640A (en) * 2017-12-08 2018-02-23 浙江中烟工业有限责任公司 A kind of method for differentiating essence spice for cigarette using SERS method
CN109991206A (en) * 2019-04-10 2019-07-09 西安石油大学 One kind is based on Partial Least Squares to the total alcohol content method for measuring of alcohol gasoline

Non-Patent Citations (4)

* Cited by examiner, † Cited by third party
Title
刘汉东等: "《岩体力学参数优选理论及应用》", 31 August 2006 *
朱东来等: "《电子烟》", 31 August 2015, 云南大学出版社 *
欧阳爱国等: "基于近红外与拉曼光谱的甲醇汽油定量分析", 《西南师范大学学报 (自然科学版)》 *
程学瑞: "《上转换发光材料的制备、发光机制与性能研究》", 31 August 2019, 武汉大学出版社 *

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