Fluid state prediction device, fluid state prediction method, and storage medium

Abstract

Provided are a fluid state prediction device, a fluid state prediction method, and a storage medium, the device being provided with: a detection unit that detects a fluid spectrum indicating the state of a fluid flowing through a flow path; the differential part is used for differentiating the fluid spectrum and exporting a differential spectrum; an extraction unit that extracts a first solvent spectrum by principal component analysis with respect to the solvent of the fluid; a calculation unit that calculates a differential spectrum between the differential spectrum and the first solvent spectrum; and a prediction unit that predicts the state of the fluid using data relating to the calculated peaks of the difference spectrum.

Description

Technical Field

[0001] The present invention relates to a fluid state prediction device, a fluid state prediction method and a storage medium. Background Art

[0002] Patent Documents 1 and 2 describe “an optical analysis system and an optical analysis method capable of analyzing information related to the optical isomerism of a target substance synthesized in a chemical reaction system in a non-destructive manner without extracting a sample”. Prior art literature Patent Document 1: Japanese Patent No. 7087696 Patent Document 2: Japanese Patent No. 7192473 Summary of the Invention

[0003] In a first embodiment of the present invention, a fluid state prediction device is provided, which comprises: a detection unit for detecting a fluid spectrum, wherein the fluid spectrum is a spectrum representing the state of a fluid flowing through a flow channel; a differentiation unit for differentiating the fluid spectrum and deriving a differential spectrum; an extraction unit for extracting a first solvent spectrum of the fluid by principal component analysis; a calculation unit for calculating a differential spectrum between the differential spectrum and the first solvent spectrum; and a prediction unit for predicting the state of the fluid using data related to peaks of the calculated differential spectrum.

[0004] The above-mentioned device may further include a generating unit, which uses the differential spectrum to generate a model, and the model predicts the state of the fluid based on the input data related to the peak of the differential spectrum of the fluid. The predicting unit inputs the data related to the peak of the differential spectrum into the model to predict the state of the fluid.

[0005] Any of the above-mentioned devices may include an acquisition unit that acquires a second solvent spectrum corresponding to the solvent, and the extraction unit may extract the first solvent spectrum from the differential spectrum by principal component analysis using the second solvent spectrum.

[0006] In the above-mentioned device, the acquisition unit may acquire a second solvent spectrum corresponding to pH or temperature of the fluid, and the extraction unit may extract the first solvent spectrum from the differential spectrum by principal component analysis using the second solvent spectrum.

[0007] In the above-mentioned device, the acquisition unit may estimate pH or temperature of the fluid and acquire the second solvent spectrum corresponding to the estimated pH or temperature.

[0008] In the above-mentioned device, the acquisition unit may estimate the pH or temperature of the fluid based on a peak corresponding to water or a solvent in the fluid in the fluid spectrum, and acquire a second solvent spectrum corresponding to the estimated pH or temperature.

[0009] Any of the above-mentioned devices may further include a storage unit storing a plurality of second solvent spectra corresponding to a plurality of pH values ​​or a plurality of temperatures, wherein the acquisition unit acquires the second solvent spectrum corresponding to the pH or temperature of the fluid from the storage unit.

[0010] In any of the above-described devices, the acquisition unit may acquire the second solvent spectrum in which the peaks are corrected according to pH or temperature of the fluid.

[0011] In any of the above-described devices, the prediction unit may predict a reaction amount of a reaction in the fluid as a state of the fluid using data related to a peak of the difference spectrum.

[0012] In the above-described device, the prediction unit may predict the remaining amount of the raw material in the fluid using data related to the peak of the differential spectrum.

[0013] The above-mentioned apparatus may further include an abnormality determination unit configured to determine that a reaction of the fluid has occurred if the remaining amount of the raw material in the fluid predicted by the prediction unit is smaller than a predetermined threshold value.

[0014] In a second embodiment of the present invention, a fluid state prediction method is provided, which includes: a step of detecting a fluid spectrum, wherein the fluid spectrum is a spectrum representing the state of a fluid flowing through a flow channel; a step of differentiating the fluid spectrum and deriving a differential spectrum; a step of extracting a first solvent spectrum for the fluid solvent through principal component analysis; a step of calculating a differential spectrum between the differential spectrum and the first solvent spectrum; and a step of predicting the state of the fluid using data related to the peak of the calculated differential spectrum.

[0015] In a third embodiment of the present invention, a storage medium is provided, in which a program is stored. A computer functions as a detection unit, a differentiation unit, an extraction unit, a calculation unit, and a prediction unit by executing the program. The detection unit detects a fluid spectrum, which is a spectrum representing the state of the fluid flowing through a flow channel. The differentiation unit differentiates the fluid spectrum to derive a differential spectrum. The extraction unit extracts a first solvent spectrum from the solvent of the fluid through principal component analysis. The calculation unit calculates a differential spectrum between the differential spectrum and the first solvent spectrum. The prediction unit uses data related to the peak of the calculated differential spectrum to predict the state of the fluid.

[0016] The above summary of the invention does not list all the essential features of the present invention, and variations of these feature groups may also constitute other inventions. BRIEF DESCRIPTION OF THE DRAWINGS

[0017] Figure 1 It is a schematic diagram of the reaction system 10 of this embodiment. Figure 2A block diagram of the control device 30 is shown. Figure 3 An example of the flow of the second solvent spectrum detection operation in the reaction system 10 is shown. Figure 4 An example of the flow of the reaction operation of the reaction system 10 is shown. Figure 5 An explanatory diagram showing an example of a database storing a second solvent spectrum. Figure 6 This is an explanatory diagram showing another example of the database storing the second solvent spectrum. Figure 7 An explanatory diagram showing an example of a differential spectrum. Figure 8 An explanatory diagram showing an example of the first solvent spectrum. Figure 9 An explanatory diagram showing an example of a difference spectrum. Figure 10 An example of a computer 2200 is shown that can implement all or part of various aspects of the present invention. DETAILED DESCRIPTION

[0018] The present invention will be described below by way of embodiments of the invention, but the following embodiments do not limit the invention as defined in the claims. Furthermore, not all combinations of features described in the embodiments are necessarily essential to the solution provided by the invention.

[0019] Figure 1 Schematic diagram of a reaction system 10 according to this embodiment. The reaction system 10 produces a target substance such as a peptide. The reaction system 10 includes a reaction device 20 and a control device 30.

[0020] The reaction device 20 is connected to the control device 30. As an example, the reaction device 20 may be a flow reactor such as a microfluidic reactor that produces a target product by flow synthesis, etc. The reaction device 20 includes a first raw material tank 100, a first pump 102, a first liquid delivery pipe 104, a second raw material tank 110, a second pump 112, a second liquid delivery pipe 114, a third raw material tank 120, a third pump 122, a third liquid delivery pipe 124, a fourth raw material tank 130, a fourth pump 132, a fourth liquid delivery pipe 134, a first mixer 140, a first reaction tube 142, a second mixer 150, a second reaction tube 152, a third mixer 160, a third reaction tube 162, a target product tank 170, a first sensor unit 180, a second sensor unit 182, a third sensor unit 184, a fourth sensor unit 186, a fifth sensor unit 188, a sixth sensor unit 190, a seventh sensor unit 192, an eighth sensor unit 194, a ninth sensor unit 196, and a tenth sensor unit 198. In the following description, one or more of the first sensor unit 180, the second sensor unit 182, the third sensor unit 184, the fourth sensor unit 186, the fifth sensor unit 188, the sixth sensor unit 190, the seventh sensor unit 192, the eighth sensor unit 194, the ninth sensor unit 196, and the tenth sensor unit 198 may be referred to simply as a sensor unit or a plurality of sensor units. The liquid delivery pipe and the reaction tube in the reaction apparatus 20 form a flow path from the raw material tank to the target tank 170.

[0021] The first raw material tank 100 is connected to the first mixer 140 through the first pump 102 and the first liquid feeding pipe 104. The first raw material tank 100 contains a solvent containing a first raw material such as an amino acid. The first pump 102 supplies the solvent containing the first raw material from the first raw material tank 100 to the first liquid feeding pipe 104 at a flow rate or flow rate according to a pre-set reaction condition. The first liquid feeding pipe 104 forms a flow channel inside. The first liquid feeding pipe 104 can be a through hole or tube formed in a plate-shaped unit of metal or resin. The first raw material fluid, which is a solvent containing the first raw material, flows into the inlet on one side of the first mixer 140 through the flow channel of the first liquid feeding pipe 104.

[0022] The second raw material tank 110 is connected to the first mixer 140 via a second pump 112 and a second liquid delivery pipe 114. The second raw material tank 110 contains a solvent containing the second raw material. The second pump 112 supplies the solvent containing the second raw material from the second raw material tank 110 to the second liquid delivery pipe 114 at a flow rate or flow rate according to pre-set reaction conditions. The second liquid delivery pipe 114 forms a flow channel inside. The second liquid delivery pipe 114 can be a through hole or tube formed in a plate-shaped unit of metal or resin. The second raw material fluid, which is the solvent containing the second raw material, flows into the inlet on the other side of the first mixer 140 through the flow channel of the second liquid delivery pipe 114.

[0023] The third raw material tank 120 is connected to the second mixer 150 via a third pump 122 and a third liquid delivery pipe 124. The third raw material tank 120 contains a solvent containing the third raw material. The third pump 122 supplies the solvent containing the third raw material from the third raw material tank 120 to the third liquid delivery pipe 124 at a flow rate or flow rate according to pre-set reaction conditions. The third liquid delivery pipe 124 has a flow channel formed therein. The third liquid delivery pipe 124 can be a through hole or tube formed in a plate-like unit of metal or resin. The third raw material fluid, which is the solvent containing the third raw material, flows through the flow channel of the third liquid delivery pipe 124 into an inlet on one side of the second mixer 150.

[0024] The fourth raw material tank 130 is connected to the third mixer 160 through the fourth pump 132 and the fourth liquid supply pipe 134. The fourth raw material tank 130 contains a solvent containing the fourth raw material. The fourth pump 132 supplies the solvent containing the fourth raw material from the fourth raw material tank 130 to the fourth liquid supply pipe 134 at a flow rate or flow rate according to a predetermined reaction condition. The fourth liquid supply pipe 134 forms a flow channel inside. The fourth liquid supply pipe 134 can be formed of metal or resin, and can be a tube or a through hole formed in a plate-like unit. The fourth raw material fluid, which is a solvent containing the fourth raw material, passes through the flow channel of the fourth liquid supply pipe 134 and flows into the inlet on one side of the third mixer 160. Here, the first raw material, the second raw material, the third raw material, and the fourth raw material can be different raw materials from each other, and the solvents can be the same as each other or of different types.

[0025] The outlet of the first mixer 140 is connected to one end of the first reaction tube 142. The first mixer 140 can be a static mixer such as a T-shaped mixer or a Y-shaped mixer. The first mixer 140 internally mixes the first raw material fluid and the second raw material fluid flowing in from the two inlets and discharges the first reaction fluid into the first reaction tube 142 as the first reaction fluid.

[0026] The other end of the first reaction tube 142 is connected to the second mixer 150. The first reaction tube 142 can be a through-hole or tube formed in a plate-shaped unit of metal or resin. The first reaction tube 142 allows the first reaction fluid to flow through the internal flow channel and discharges the first reaction fluid to the other inlet of the second mixer 150. While flowing through the first reaction tube 142, the first reaction fluid reacts to produce intermediate target products based on the reaction. The length, width, or shape of the reaction portion of the first reaction tube 142 can be set to adjust reaction conditions such as reaction time.

[0027] The outlet of the second mixer 150 is connected to one end of the second reaction tube 152. The second mixer 150 can be a static mixer such as a T-shaped mixer or a Y-shaped mixer. The second mixer 150 mixes the first reaction fluid and the third raw material fluid flowing in from the two inlets and discharges the mixture into the second reaction tube 152 as the second reaction fluid.

[0028] The other end of the second reaction tube 152 is connected to the third mixer 160. The second reaction tube 152 can be a through-hole or tube formed in a metal or resin plate-shaped unit. The second reaction tube 152 allows the second reaction fluid to flow through the internal flow channel and discharges the second reaction fluid to the other inlet of the third mixer 160. The second reaction fluid reacts while flowing through the second reaction tube 152, generating intermediate target products based on the reaction. The length, width, or shape of the reaction portion of the second reaction tube 152 can be set to adjust reaction conditions such as reaction time.

[0029] The outlet of the third mixer 160 is connected to one end of the third reaction tube 162. The third mixer 160 can be a static mixer such as a T-shaped mixer or a Y-shaped mixer. The third mixer 160 internally mixes the second reaction fluid and the fourth raw material fluid flowing in from the two inlets and discharges the mixture into the third reaction tube 162 as the third reaction fluid.

[0030] The other end of the third reaction tube 162 is connected to the target tank 170. The third reaction tube 162 can be a through-hole or tube formed in a metal or resin plate-shaped unit. The third reaction tube 162 allows the third reaction fluid to flow through the internal flow channel and discharges the third reaction fluid into the target tank 170. The third reaction fluid reacts while flowing through the third reaction tube 162, producing the final target product based on the reaction. The length, width, or shape of the reaction portion of the third reaction tube 162 can be set to adjust reaction conditions such as reaction time.

[0031] The target tank 170 receives the third reaction fluid discharged from the third reaction tube 162. A device such as a filter may be disposed between the third reaction tube 162 and the target tank 170 to separate byproducts from the third reaction fluid and extract the final target.

[0032] The first sensor unit 180 is disposed in the first liquid supply pipe 104 and detects the state of the fluid within the first liquid supply pipe 104. The first sensor unit 180 can detect at least one of the spectrum, pressure, flow rate, flow rate, pH, and temperature of the fluid within the first liquid supply pipe 104. The first sensor unit 180 can include at least one of an ultraviolet spectrometer, a visible spectrometer, a near-infrared spectrometer, an infrared spectrometer for detecting the fluid's absorption spectrum, a fluorescence spectrometer for detecting the fluid's luminescence spectrum, and a Raman spectrometer for detecting Raman scattered light from the fluid. The fluid's absorption spectrum and luminescence spectrum can be absorption spectra, luminescence spectra, or Raman spectra in the ultraviolet region (10 nm to 380 nm), visible region (380 nm to 800 nm), near-infrared region (wavelength 800 nm to 2500 nm), or infrared region (wavelength 2500 nm to 25000 nm), and the same applies hereinafter. In the following, only the absorption spectrum is described.

[0033] The second sensor unit 182 is disposed in the second liquid supply pipe 114 and detects the state of the fluid within the second liquid supply pipe 114. The second sensor unit 182 can detect at least one of the spectrum, pressure, flow velocity, flow rate, pH, and temperature of the fluid within the second liquid supply pipe 114. The second sensor unit 182 can have the same configuration and perform the same operations as the first sensor unit 180.

[0034] The third sensor unit 184 is disposed in the third liquid supply pipe 124 and detects the state of the fluid within the third liquid supply pipe 124. The third sensor unit 184 can detect at least one of the spectrum, pressure, flow velocity, flow rate, pH, and temperature of the fluid within the third liquid supply pipe 124. The third sensor unit 184 can have the same configuration and perform the same operations as the first sensor unit 180.

[0035] The fourth sensor unit 186 is disposed in the fourth liquid supply pipe 134 and detects the state of the fluid within the fourth liquid supply pipe 134. The fourth sensor unit 186 can detect at least one of the spectrum, pressure, flow velocity, flow rate, pH, and temperature of the fluid within the fourth liquid supply pipe 134. The fourth sensor unit 186 can have the same configuration and perform the same operation as the first sensor unit 180.

[0036] The fifth sensor unit 188 is disposed in the first reaction tube 142 to detect the state of the fluid within the first reaction tube 142. The fifth sensor unit 188 can be disposed immediately before the second mixer 150, for example, downstream of the reaction zone in the first reaction tube 142 (i.e., at the location where the reaction in the first reaction tube 142 ends). The fifth sensor unit 188 can detect at least one of the spectrum, pressure, flow velocity, flow rate, pH, and temperature of the fluid within the first reaction tube 142. The fifth sensor unit 188 can have the same configuration and perform the same operations as the first sensor unit 180.

[0037] The sixth sensor 190, the seventh sensor 192, and the eighth sensor 194 are disposed in the second reaction tube 152 to detect the state of the fluid within the second reaction tube 152. Each of the sixth sensor 190, the seventh sensor 192, and the eighth sensor 194 can detect at least one of the spectrum, pressure, flow velocity, flow rate, pH, and temperature of the fluid within the second reaction tube 152. The sixth sensor 190, the seventh sensor 192, and the eighth sensor 194 can be disposed at different locations within the second reaction tube 152 to perform detection. The sixth sensor 190, the seventh sensor 192, and the eighth sensor 194 can be disposed at three different locations downstream of the reaction zone in the second reaction tube 152 (i.e., where the reaction in the second reaction tube 152 ends), or they can be disposed within the reaction zone and downstream of the reaction zone. The sixth sensor 190, the seventh sensor 192, and the eighth sensor 194 can each have the same configuration and operate similarly to the first sensor 180.

[0038] The ninth sensor unit 196 is disposed in the third reaction tube 162 to detect the state of the fluid within the third reaction tube 162. The ninth sensor unit 196 can be disposed downstream of the reaction zone in the third reaction tube 162 (i.e., at the location where the reaction in the third reaction tube 162 ends). The ninth sensor unit 196 can detect at least one of the following: spectrum, pressure, flow velocity, flow rate, pH, and temperature of the fluid within the third reaction tube 162. The ninth sensor unit 196 can have the same configuration and perform the same operations as the first sensor unit 180.

[0039] The tenth sensor unit 198 is disposed in the target tank 170 and detects the state of the target in the target tank 170. The tenth sensor unit 198 can detect a measurement value representing at least one of the spectrum, pH, and temperature of the target in the target tank 170. The tenth sensor unit 198 can have the same configuration and perform the same operation as the first sensor unit 180.

[0040] The control device 30 is connected to each structure of the reaction unit 20. The control device 30 can be a computer such as a PC, tablet PC, smart phone, workstation, server computer or general-purpose computer, or a computer system obtained by connecting multiple computers. Such a computer system is also a computer in a broad sense. In addition, the control device 30 can be implemented by one or more virtual computer environments executable in the computer. Instead of this, the control device 30 can also be a special-purpose computer designed for flow reactor use, or it can be dedicated hardware implemented by a dedicated circuit. In addition, the control device 30 can also be implemented by cloud computing.

[0041] The control device 30 receives a measurement result indicating the state of the fluid in the flow path of the reaction device 20 from at least one of the first sensor unit 180, the second sensor unit 182, the third sensor unit 184, the fourth sensor unit 186, the fifth sensor unit 188, the sixth sensor unit 190, the seventh sensor unit 192, the eighth sensor unit 194, the ninth sensor unit 196, and the tenth sensor unit 198. The control device 30 can predict the state of the fluid based on the measurement result and control the reaction device 20 based on the prediction result.

[0042] Figure 2 A more detailed block diagram of the control device 30 is shown. In this embodiment, the control device 30 extracts a first solvent spectrum corresponding to the fluid's solvent from the fluid spectrum using principal component analysis or multivariate spectral decomposition (MCR-ALS). Based on the fluid spectrum and the first solvent spectrum measured from the fluid, the control device 30 predicts the state of the fluid. The control device 30 uses the measurement results of the second solvent spectrum detection operation in the reaction device 20, which causes only the solvent to flow through the flow channel, and the measurement results of the reaction operation in which the solvent containing the raw material flows through the flow channel for prediction. The control device 30 includes a detection unit 200, a differentiation unit 210, a storage unit 220, an acquisition unit 230, an extraction unit 240, a calculation unit 250, a generation unit 260, a prediction unit 270, an abnormality determination unit 280, and an output unit 290.

[0043] The detection unit 200 is connected to the reaction device 20. The detection unit 200 detects a fluid spectrum, which is a spectrum indicating the state of the fluid flowing through the flow channel during the reaction operation. The detection unit 200 can receive measurement results indicating the state of the fluid from at least one of the first sensor unit 180, the second sensor unit 182, the third sensor unit 184, the fourth sensor unit 186, the fifth sensor unit 188, the sixth sensor unit 190, the seventh sensor unit 192, the eighth sensor unit 194, the ninth sensor unit 196, and the tenth sensor unit 198. The detection unit 200 can calculate the fluid spectrum based on the received measurement results, and can also receive the fluid spectrum calculated in the reaction device 20. The detection unit 200 can detect a second solvent spectrum from at least one of the first sensor unit 180, the second sensor unit 182, the third sensor unit 184, the fourth sensor unit 186, the fifth sensor unit 188, the sixth sensor unit 190, the seventh sensor unit 192, the eighth sensor unit 194, the ninth sensor unit 196 and the tenth sensor unit 198 in the second solvent spectrum detection action, similar to the reaction action. The second solvent spectrum is a spectrum indicating the state of a fluid containing only a solvent.

[0044] Differentiating section 210 is connected to detection section 200. Differentiating section 210 differentiates the fluid spectrum n times (n is a rational number) during the reaction operation to derive a differential spectrum (hereinafter, quadratic differentiation is described as an example). Differentiating section 210 can derive a differential spectrum by quadratic differentiation of the fluid spectrum detected by detection section 200. Differentiating section 210 can also perform quadratic differentiation on the second solvent spectrum during the second solvent spectrum detection operation, similar to the reaction operation.

[0045] Storage unit 220 is connected to differentiation unit 210. Storage unit 220 can store a second solvent spectrum corresponding to the solvent of the fluid. Storage unit 220 can store the second solvent spectrum after performing a second differentiation by differentiation unit 210 during the second solvent spectrum detection operation. Storage unit 220 can store multiple second solvent spectra corresponding to multiple pH values ​​or multiple temperatures.

[0046] The acquisition unit 230 is connected to the storage unit 220. The acquisition unit 230 acquires a second solvent spectrum corresponding to the solvent of the fluid during the reaction operation. The acquisition unit 230 may acquire the second solvent spectrum corresponding to the pH or temperature of the fluid.

[0047] Extraction unit 240 is connected to differentiation unit 210 and acquisition unit 230. Extraction unit 240 extracts a first solvent spectrum for the solvent of the fluid through principal component analysis during the reaction operation. Extraction unit 240 can perform principal component analysis using the second solvent spectrum acquired by acquisition unit 230 to extract the first solvent spectrum from the differential spectrum derived by differentiation unit 210.

[0048] The calculation unit 250 is connected to the differentiation unit 210 and the extraction unit 240 . The calculation unit 250 calculates a difference spectrum between the differential spectrum derived by the differentiation unit 210 and the first solvent spectrum extracted by the extraction unit 240 .

[0049] Generator 260 is connected to calculator 250. Generator 260 uses the differential spectrum to generate a state prediction model that predicts the state of the fluid based on input data related to peaks in the differential spectrum of the fluid. Generator 260 can generate the state prediction model during a learning operation based on the relationship between data related to peaks in the differential spectrum calculated by calculator 250, obtained through experiments, and the results of fluid state measurements. Generator 260 can also generate the state prediction model using data related to peaks in the differential spectrum when the abnormality determination unit 280 has not determined the state to be abnormal. Generator 260 can generate the state prediction model based on input data such as the intensity (absorbance, etc.) of peaks in the differential spectrum within a predetermined wavenumber range corresponding to the target substance or raw material of the reaction, or the wavenumber at which the peaks appear in the differential spectrum, to predict whether the fluid reaction is abnormal, the remaining amount of the raw material, or the amount of the target substance produced in the reaction. In the differential spectrum of the fluid, peaks appear in the wavenumber range corresponding to the type of target substance. The greater the peak intensity, the greater the amount of the target substance. Furthermore, the generator 260 can generate a state prediction model that predicts at least one of the temperature, pressure, and raw material concentration of the fluid based on input of data related to peaks in the differential spectrum calculated by the calculator 250. The generator 260 can generate the state prediction model using methods such as PLS (partial least squares), PCR (principal component regression), and MLR (multiple linear regression). Alternatively, the generator 260 can generate the state prediction model using methods such as logistic regression, neural networks, support vector machines, classification trees, change point detection, k-nearest neighbor methods, and k-means methods.

[0050] Prediction unit 270 is connected to calculation unit 250 and generation unit 260. Prediction unit 270 uses data related to the peaks of the differential spectrum calculated by calculation unit 250 to predict the state of the fluid. Prediction unit 270 can input the data related to the peaks of the differential spectrum into a state prediction model generated by generation unit 260 to predict the state of the fluid. Prediction unit 270 can use at least one of the following as the state of the fluid: the concentration of the target substance of the reaction, the presence or absence of the target substance, or the presence or absence of reaction anomalies, output by the state prediction model based on the intensity of the peaks of the differential spectrum within a predetermined wavenumber range corresponding to the target substance of the reaction, or the wavenumber at which the peaks of the differential spectrum are generated, as input into the state prediction model.

[0051] The abnormality determination unit 280 is connected to the prediction unit 270 . The abnormality determination unit 280 can determine whether a reaction abnormality has occurred in the reaction device 20 based on the state of the fluid predicted by the prediction unit 270 .

[0052] The output unit 290 is connected to the abnormality determination unit 280 and the reaction device 20. The output unit 290 outputs control data to the reaction device 20 based on the determination result of the abnormality determination unit 280. The output unit 290 can also send display data for displaying the determination result of the abnormality determination unit 280 to an external display device or the reaction device 20.

[0053] Figure 3 An example of a process for a second solvent spectrum detection action of the reaction system 10 is shown. In step S300, the conditions for the second solvent spectrum detection action (the flow rate, flow velocity, pressure, temperature, type, etc. of the solvent in each flow channel) are set by user input, etc. The conditions for the second solvent spectrum detection action can be the same as the conditions for the reaction action. However, the reaction device 20 can only supply a solvent (for example, an organic solvent such as MTHP (methyltetrahydropyran) or DMF (dimethylformamide) or water) to each flow channel of the first liquid supply pipe 104, the second liquid supply pipe 114, the third liquid supply pipe 124, and the fourth liquid supply pipe 134. The reaction device 20 can supply a solvent that does not contain the raw materials (amino acids, etc.) in the reaction action to each flow channel according to the set conditions through the first pump 102, the second pump 112, the third pump 122, and the fourth pump 132.

[0054] During the second solvent spectrum detection operation, the reaction device 20 causes the solvent to flow through the flow channel at multiple temperatures within a predetermined temperature range or multiple pH values ​​within a predetermined pH range. By causing the solvent to flow through the flow channel while changing the temperature or pH, the reaction device 20 can detect multiple second solvent spectra corresponding to the multiple temperatures or pH values ​​in each of the flow channels of the first liquid supply pipe 104, the second liquid supply pipe 114, the third liquid supply pipe 124, the fourth liquid supply pipe 134, the first reaction tube 142, the second reaction tube 152, and the third reaction tube 162. The predetermined temperature range may be the control temperature range of the fluid being controlled during the reaction operation. The reaction device 20 may cause the solvent to flow through the flow channel so that the temperature of the fluid is within the control temperature range ±α, ±2α, ..., or ±nα (α>0, n≥2) of the set temperature of the fluid. Furthermore, the predetermined pH range may be the control pH range of the fluid being controlled during the reaction operation. The reaction device 20 can flow the solvent through the flow channel so that the pH of the solvent fluid becomes the set pH±β, set pH±2β, ..., and set pH±mβ (β>0, m≥2) of the fluid within the control pH range.

[0055] In step S310, detection unit 200 receives a second solvent spectrum representing an absorption spectrum of only the solvent flowing through the flow channel in which each sensor unit is disposed, from first sensor unit 180, second sensor unit 182, third sensor unit 184, fourth sensor unit 186, fifth sensor unit 188, sixth sensor unit 190, seventh sensor unit 192, eighth sensor unit 194, ninth sensor unit 196, and tenth sensor unit 198. Detection unit 200 may receive the second solvent spectrum and identification information of the sensor unit or tube that detected the second solvent spectrum from reaction apparatus 20.

[0056] For example, the third sensor unit 184 can guide irradiation light in the ultraviolet region (10-380 nm), visible region (380-800 nm), near-infrared region (wavelength 800-2500 nm), or infrared region (wavelength 2500-25000 nm) from a light source such as a semiconductor laser through a light guide component such as an optical fiber into the interior of the flow channel, thereby irradiating the fluid. The third sensor unit 184 guides the measurement light that has passed through the interior of the flow channel to a photodetector such as a photodiode through another light guide component, and the photodetector detects an absorption spectrum representing the intensity or light absorption amount of each wavenumber (wavelength) of the measurement light. The first sensor unit 180, the second sensor unit 182, the fourth sensor unit 186, the fifth sensor unit 188, the sixth sensor unit 190, the seventh sensor unit 192, the eighth sensor unit 194, the ninth sensor unit 196, and the tenth sensor unit 198 can each detect an absorption spectrum in the same manner as the third sensor unit 184. Alternatively, the tenth sensor unit 198 may insert a light guide member such as an optical fiber into the target tank, irradiate the target tank with irradiation light, and detect measurement light, thereby detecting an absorption spectrum.

[0057] The detection unit 200 can receive, from the sensor unit, second solvent spectra measured under multiple conditions for each flow path of the first liquid supply tube 104, the second liquid supply tube 114, the third liquid supply tube 124, the fourth liquid supply tube 134, the first reaction tube 142, the second reaction tube 152, and the third reaction tube 162. The detection unit 200 can receive the second solvent spectra from the sensor unit for each temperature or pH value (as an example, a theoretical pH value). The detection unit 200 can receive, from the reaction device 20, a set value for the temperature or pH of the fluid corresponding to each second solvent spectrum. Furthermore, during the second solvent spectrum detection operation, the detection unit 200 can receive, from the sensor unit, a set value for at least one of the temperature and pH of the fluid flowing through each flow path.

[0058] In step S320, the reaction device 20 preprocesses the second solvent spectrum. The reaction device 20 can perform the same preprocessing on the second solvent spectrum as that performed on the fluid spectrum during the reaction. The detection unit 200 can perform preprocessing on the second solvent spectrum, including smoothing using median filtering, FFT filtering, and the Savitzky-Golay method. The differentiation unit 210 can perform a second derivative on the second solvent spectrum.

[0059] In step S330, the storage unit 220 stores the second solvent spectrum for each flow channel or each type of solvent detected. The storage unit 220 may store at least one of the temperature and pH of the fluid in each flow channel in association with the second solvent spectrum. The storage unit 220 may store a set value or measured value for the fluid temperature and a set value or measured value for the fluid pH.

[0060] If the second solvent spectrum is stored, the control device 30 may end the second solvent spectrum detection operation and move to the reaction operation.

[0061] Figure 4 An example of the flow of the reaction operation of the reaction system 10 is shown. Figure 4 In the reaction action of Figure 1 In the reaction apparatus 20 shown in FIG, to synthesize a peptide, organic solvents containing raw materials such as different amino acids are supplied from a first raw material tank 100, a second raw material tank 110, a third raw material tank 120, and a fourth raw material tank 130 to each flow channel. (Hereinafter, during the reaction operation, the solvent containing raw materials such as amino acids or the target product flowing through each flow channel is also referred to as a mixed fluid, and the mixed fluid refers to either the raw material fluid or the reaction fluid.)

[0062] Reactor 20 initiates the reaction based on user-set reaction conditions (e.g., temperature, flow rate, flow velocity, and pressure of the fluid in the flow channel). Reactor 20 operates first pump 102, second pump 112, third pump 122, and fourth pump 132 based on the set values ​​(e.g., discharge volume, pressure, or rotational speed) specified in the reaction conditions, thereby allowing the mixed fluids to flow into the flow channel.

[0063] In step S400, the detection unit 200 receives measurement values ​​representing the state of the flow channel through which the mixed fluid flows from each of the first sensor unit 180, the second sensor unit 182, the third sensor unit 184, the fourth sensor unit 186, the fifth sensor unit 188, the sixth sensor unit 190, the seventh sensor unit 192, the eighth sensor unit 194, the ninth sensor unit 196, and the tenth sensor unit 198. The detection unit 200 detects measurement values ​​representing the fluid spectrum of the mixed fluid in the flow channel from each of the first sensor unit 180, the second sensor unit 182, the third sensor unit 184, the fourth sensor unit 186, the fifth sensor unit 188, the sixth sensor unit 190, the seventh sensor unit 192, the eighth sensor unit 194, the ninth sensor unit 196, and the tenth sensor unit 198. As the fluid spectrum of the mixed fluid, each sensor unit can measure an absorption spectrum similar to step S310. Furthermore, the detection unit 200 can receive at least one of the temperature, flow rate, and pressure of the mixed fluid detected by each sensor unit. The detection unit 200 can receive the measurement value and identification information of the sensor unit or tube that detected the measurement value from the reaction device 20 .

[0064] The detection unit 200 may perform pre-processing on the fluid spectrum, such as median filtering, FFT filtering, and smoothing using the Savitzky-Golay method, in the same manner as step S320 .

[0065] In step S410, the differentiating unit 210 performs a second derivative on the fluid spectrum detected by the detecting unit 200 to derive a differential spectrum. As an example, the differentiating unit 210 obtains the difference between the intensity x(t) at wave number t of the fluid spectrum and the intensities x(t+w) and x(t-w) at wave number t as a reference ±w, and divides the difference by the differential interval h. The difference between the obtained values ​​is then divided by the differential interval h. This allows the calculation of the second derivative value x(t)(x(t)=(x(t+w)+x(t-w)-2x(t)) / h of the differential spectrum at wave number t. 2 The differentiating unit 210 can calculate the second differential value across the wavenumber range of the measured fluid spectrum and derive the differential spectrum. In this way, the differentiating unit 210 can clearly identify the changing points of the fluid spectrum.

[0066] In step S420, the acquisition unit 230 acquires a second solvent spectrum corresponding to the solvent of the mixed fluid. The acquisition unit 230 may acquire a second solvent spectrum for the same solvent as the solvent of the mixed fluid (a solvent of at least one of the same type and the same mixing ratio). The acquisition unit 230 may use the identification information of the tube or sensor unit to acquire a second solvent spectrum detected through the same flow channel or the same sensor unit as the flow channel in which the fluid spectrum was detected. The acquisition unit 230 may acquire a second solvent spectrum corresponding to the pH or temperature of the mixed fluid from among the plurality of second solvent spectra stored in the storage unit 220.

[0067] Acquisition unit 230 can estimate the pH or temperature of the fluid and acquire a second solvent spectrum corresponding to the estimated pH or temperature. For example, acquisition unit 230 can estimate the pH or temperature of the fluid based on a peak in the fluid spectrum corresponding to water or a solvent in the fluid and acquire a second solvent spectrum corresponding to the estimated pH or temperature. Acquisition unit 230 can estimate the pH or temperature of the fluid based on at least one of the wavenumber and intensity of a peak within a predetermined wavenumber range corresponding to water or an organic solvent in the fluid spectrum. For example, acquisition unit 230 can perform the estimation using a table or function that represents the relationship between at least one of the wavenumber and intensity of a peak within a predetermined wavenumber range corresponding to water or an organic solvent and the pH or temperature of the fluid. Alternatively, acquisition unit 230 can perform the pH or temperature estimation using an estimation model that estimates the pH or temperature of the fluid based on at least one of the wavenumber and intensity of a peak within a predetermined wavenumber range corresponding to water or an organic solvent. The generation unit 260 can generate an estimation model during a learning operation using at least one of the wavenumber and intensity of peaks within a predetermined wavenumber range of a fluid spectrum obtained through experiments, etc., and the measurement results of the pH or temperature of the fluid in the corresponding flow channel. The peaks in the wavenumber range corresponding to water or an organic solvent in the fluid spectrum are offset by an offset corresponding to the pH or temperature. The generation unit 260 can generate the estimation model using logistic regression, a neural network, a support vector machine, a classification tree, change point detection, a k-nearest neighbor method, or a k-means method. Alternatively, the acquisition unit 230 can also estimate the pH or temperature of the fluid based on the peaks in the differential spectrum corresponding to water or an organic solvent in the fluid using the same method as for the fluid spectrum.

[0068] Furthermore, the acquisition unit 230 may acquire the second solvent spectrum from the storage unit 220 based on the measured value of the temperature or pH of the mixed fluid measured by the sensor unit that detects the target fluid spectrum.

[0069] The acquisition unit 230 can acquire a second solvent spectrum with peaks corrected based on the pH or temperature of the fluid. The acquisition unit 230 receives the second solvent spectrum corresponding to the solvent of the mixed fluid from the storage unit 220 and performs the correction. If a peak shift exists, the acquisition unit can shift at least one of the multiple peaks in the second solvent spectrum by the shifted wavenumber corresponding to the difference between the pH or temperature at the time the second solvent spectrum was detected and the pH or temperature of the fluid in the fluid spectrum (estimated or measured value), thereby acquiring the corrected second solvent spectrum. The acquisition unit 230 can shift all the multiple peaks in the second solvent spectrum by the same wavenumber, or it can shift the multiple peaks in the second solvent spectrum by different wavenumbers. The greater the pH or temperature difference, the greater the wavenumber the acquisition unit 230 shifts the peaks of the second solvent spectrum. The acquisition unit 230 can determine the shifted wavenumber using a table or function that represents the relationship between the difference between the pH or temperature at the time the second solvent spectrum was detected and the pH or temperature of the fluid in the fluid spectrum and the shifted wavenumber. The acquisition unit 230 can use a table or function previously acquired through experiments, for example.

[0070] In step S430, the extraction unit 240 extracts the first solvent spectrum from the differential spectrum using principal component analysis. The extraction unit 240 may extract the first solvent spectrum from the differential spectrum using a second solvent spectrum from the same flow channel as the flow channel in which the differential spectrum was detected. For example, the extraction unit 240 may extract the first solvent spectrum from the differential spectrum using principal component analysis using a second solvent spectrum detected by the same sensor unit as the sensor unit that detected the differential spectrum, or a second solvent spectrum detected in the same tube (liquid supply tube or reaction tube) as the tube in which the differential spectrum was detected.

[0071] For example, extraction unit 240 performs principal component analysis on the intensities at each wavenumber of the second solvent spectrum to create a principal component analysis model for calculating principal component loadings and scores. Extraction unit 240 applies this principal component analysis model to the differential spectrum to calculate the loadings and scores corresponding to specific principal components in the solvent of the mixed fluid (e.g., principal components whose loadings have the same sign as the second solvent spectrum within the wavenumber range where the absolute value of the score is the highest). Extraction unit 240 uses the calculated loadings and scores to reconstruct and extract the first solvent spectrum.

[0072] In step S440, calculation unit 250 calculates a difference spectrum between the differential spectrum and the first solvent spectrum extracted from the differential spectrum through principal component analysis. Calculation unit 250 can calculate the difference between the differential spectrum value and the first solvent spectrum value at any wavenumber within the wavenumber range of the measurement light. By calculating the difference while varying the wavenumber across the wavenumber range of the measurement light, calculation unit 250 can calculate the distribution of the difference spectrum.

[0073] When the detection unit 200 detects fluid spectra at multiple locations in a flow channel (e.g., the second reaction tube), the calculation unit 250 can calculate a differential spectrum between an average spectrum of multiple differential spectra derived from the multiple fluid spectra and the first solvent spectrum extracted from the average spectrum by the extraction unit. For example, the calculation unit 250 can calculate the differential spectrum by calculating the difference between a differential spectrum derived from the average spectrum of the fluid spectra detected by the detection unit 200 from the sixth sensor unit 190, the seventh sensor unit 192, and the eighth sensor unit 194 disposed in the second reaction tube 152, respectively, and the first solvent spectrum extracted from the differential spectrum. By using the average spectrum, the calculation unit 250 can reduce the impact of sensor unit detection errors on the differential spectrum.

[0074] In step S450, the prediction unit 270 uses data related to the peaks in the differential spectrum to predict the state of the fluid. The prediction unit 270 can predict the reaction amount (for example, the concentration of the target substance in the fluid, the presence of the target substance, or the remaining amount of raw materials) of each reaction in the first, second, and third reaction tubes. The prediction unit 270 can use a state prediction model that outputs the amount of the target substance based on the values ​​of the differential spectrum (for example, the peak intensity or the wavenumber at which the peak occurs) in the wavenumber range corresponding to the reacting target substance to predict the amount of the target substance in the fluid corresponding to the calculated differential spectrum. The prediction unit 270 can use a state prediction model generated by the generation unit 260 or a state prediction model generated by an external learning device. For example, the prediction unit 270 can input the peak intensity of the differential spectrum in the wavenumber range corresponding to the reacting target substance in the second reaction tube 152, calculated by the calculation unit 250, into the state prediction model to predict the concentration of the target substance generated by the reaction in the second reaction tube 152.

[0075] The prediction unit 270 can use multiple differential spectra from a single flow channel to predict the reaction amount of the fluid. The prediction unit 270 can predict multiple reaction amounts based on the multiple differential spectra and calculate the reaction change rate based on the multiple reaction amounts. The prediction unit 270 can calculate the reaction change rate by dividing the difference in reaction amount between the multiple measurement locations of the multiple fluid spectra by the interval between the corresponding measurement locations (the length of the flow channel). For example, the prediction unit 270 can use the fluid spectra obtained from the sixth sensor unit 190, the seventh sensor unit 192, or the eighth sensor unit 194 to predict the concentration of the target substance generated by the reaction in the second reaction tube 152 based on the state prediction model. The prediction unit 270 can calculate the reaction change rate by dividing the difference between the target substance concentration predicted from the fluid spectrum detected by the sixth sensor unit 190 and the target substance concentration predicted from the fluid spectrum detected by the seventh sensor unit 192 by the length of the flow channel between the locations where the sixth sensor unit 190 and the seventh sensor unit 192 are located. Similarly, the prediction unit 270 can calculate the reaction change rate by dividing the difference between the target concentration predicted from the fluid spectrum detected by the seventh sensor unit 192 and the target concentration predicted from the fluid spectrum detected by the eighth sensor unit 194 by the length of the flow channel between the locations where the seventh sensor unit 192 and the eighth sensor unit 194 are arranged. Furthermore, the prediction unit 270 can calculate an average value of a plurality of predicted reaction amounts.

[0076] In addition, the prediction unit 270 can use a state prediction model to predict at least one of the temperature, pressure, and raw material concentration of the raw material fluid flowing through each flow channel of the first liquid supply pipe, the second liquid supply pipe, and the third liquid supply pipe based on data related to the peak of the differential spectrum.

[0077] In step S460, the abnormality determination unit 280 determines whether a reaction anomaly has occurred in the flow channel based on the predicted state of the fluid. If the predicted reaction amount of the fluid is less than a predetermined threshold, the abnormality determination unit 280 may determine that a reaction anomaly has occurred. For example, if the remaining amount of raw material in the fluid predicted by the prediction unit 270 is less than a predetermined threshold (for example, the remaining amount is 0), the abnormality determination unit 280 may determine that the fluid has reacted (no reaction anomaly). Alternatively, if the reaction change rate calculated by the prediction unit 270 is less than a predetermined threshold, the abnormality determination unit 280 may determine that a reaction anomaly has occurred. The predetermined threshold can be determined by the user, etc., based on a theoretical value of the fluid reaction amount. Alternatively, if at least one of the temperature, pressure, and raw material concentration of the raw material fluid is outside a predetermined threshold range, the abnormality determination unit 280 may determine that a reaction anomaly has occurred. The predetermined threshold range can be determined by the user, etc., based on the set values ​​of pre-set reaction conditions.

[0078] In addition, the control device 30 can predict the state of the fluid in each flow channel of the reaction device 20, and the abnormality determination unit 280 can identify the liquid supply pipe or reaction tube showing an abnormal state among the multiple liquid supply pipes and multiple reaction tubes.

[0079] If the abnormality determination unit 280 determines that the reaction is abnormal ( Figure 4 If the abnormality determination unit 280 determines that the reaction is not abnormal ( Figure 4 If the abnormality determination unit 280 determines that the reaction abnormality is not in the upstream flow channel (for example, the first reaction tube 142), the control device 30 may control the process so that the third pump 122 starts operating to supply the raw material from the third raw material tank 120 to the downstream flow channel (for example, the second reaction tube 152).

[0080] In step S470, the output unit 290 may transmit display data indicating that a reaction abnormality has occurred to the reaction apparatus 20. For example, the output unit 290 may transmit display data indicating which of the multiple liquid supply pipes and reaction tubes exhibits an abnormal state to the reaction apparatus 20. Furthermore, the output unit 290 may transmit control data to the reaction apparatus 20 to stop the reaction operation in the reaction apparatus 20.

[0081] Figure 5 1 shows an example of a database storing a second solvent spectrum. The database is stored in the storage unit 220. The database stores spectrum data of the second solvent spectrum corresponding to a plurality of temperatures in association with identification information of the sensor unit. Figure 5 As an example, the database stores second solvent spectrum 1 at a temperature of 20°C, second solvent spectrum 2 at a temperature of 21°C, ..., and second solvent spectrum 10 at a temperature of 29°C, detected by the fifth sensor unit 188. The spectrum data represents the distribution of absorbance within the wavenumber range of the measurement light after second differentiation by the differentiating unit 210 in the second solvent spectrum detection operation.

[0082] Figure 6 Another example of a database storing a second solvent spectrum is shown. The database stores spectrum data of the second solvent spectrum corresponding to a plurality of pH values ​​in association with tube identification information. Figure 6As an example, the database stores second solvent spectrum 1 at pH 6.5, second solvent spectrum 2 at pH 6.6, ..., and second solvent spectrum 10 at pH 7.4, all detected in first reaction tube 142. The spectrum data represents the distribution of absorbance within the wavenumber range of the measurement light after secondary differentiation by differentiating unit 210 during the second solvent spectrum detection operation.

[0083] Figure 7 An explanatory diagram showing an example of a differential spectrum. Figure 7 As an example, a differential spectrum is shown, obtained by secondarily differentiating the absorption spectrum measured by the fifth sensor unit 188. The horizontal axis represents wavenumbers, and the vertical axis represents absorbance. The fifth sensor unit 188 irradiates the first reaction fluid flowing through the flow channel of the first reaction tube 142 with irradiation light, detects measurement light that has passed through the fluid, and measures the absorbance of the measurement light at each wavenumber. The differential spectrum exhibits multiple peaks due to the presence of raw materials such as amino acids and the solvent in the first reaction fluid.

[0084] Figure 8 It is an explanatory diagram showing an example of the first solvent spectrum. Figure 8 As an example, the extraction unit 240 is shown Figure 7 The first solvent spectrum is extracted from the differential spectrum of the first solvent, with the horizontal axis representing wave number and the vertical axis representing absorbance. In the second solvent spectrum detection operation, the fifth sensor unit 188 irradiates the fluid containing only the solvent flowing through the flow channel in the first reaction tube 142 with irradiation light, detects the measurement light that has passed through the fluid, and measures the absorbance of the measurement light at each wave number, thereby obtaining the spectrum for extraction. Figure 8 The first solvent spectrum has a plurality of peaks due to the solvent.

[0085] Figure 9 An explanatory diagram showing an example of a difference spectrum. Figure 9 As an example Figure 7 The differential spectrum of Figure 8 The calculation unit 250 can calculate the difference in absorbance between the differential spectrum of each wave number and the first solvent spectrum, and can calculate the difference in absorbance between the differential spectrum of each wave number and the first solvent spectrum. Figure 9 The difference spectrum of the measured light wave number range is shown. Figure 9 As shown, the difference spectrum removes the solvent component and clarifies the peaks due to the raw material or the target substance.

[0086] According to this embodiment, the difference spectrum between the first solvent spectrum extracted through principal component analysis and the fluid's differential spectrum is used to predict the fluid state. This eliminates the effects of changes in solvent concentration due to fluctuations in the fluid's flow rate, temperature, and other factors on the state prediction. This allows the control device 30 to accurately predict the fluid state.

[0087] In addition, the fluid spectrum, differential spectrum, first solvent spectrum, second solvent spectrum, and difference spectrum may be the distribution of the intensity (absorbance, etc.) of the measurement light in a wavenumber range, or may be the intensity (absorbance, etc.) of the measurement light at a predetermined wavenumber.

[0088] In addition, various embodiments of the present invention may be described with reference to flow charts and block diagrams, where a module may represent (1) a stage of a process for performing an operation or (2) a portion of a device having the function of performing an operation. Specific stages and portions may be implemented by dedicated circuits, programmable circuits supplied together with computer-readable instructions stored on a computer-readable medium, and / or processors supplied together with computer-readable instructions stored on a computer-readable medium. Dedicated circuits may include digital and / or analog hardware circuits, and may also include integrated circuits (ICs) and / or discrete circuits. Programmable circuits may include reconfigurable hardware circuits that include logical AND, logical OR, logical XOR, logical NAND, logical NOR, and other logical operations, flip-flops, registers, field programmable gate arrays (FPGAs), programmable logic arrays (PLAs), and other memory elements.

[0089] A computer-readable medium may include any tangible device capable of storing instructions for execution by an appropriate device. Consequently, a computer-readable medium having instructions stored therein includes an article containing instructions that can be executed to produce a means for performing the operations specified by the flowchart or block diagram. Examples of computer-readable media include electronic storage media, magnetic storage media, optical storage media, electromagnetic storage media, semiconductor storage media, and the like. More specific examples of computer-readable media include floppy disks, magnetic disks, hard disks, random access memory (RAM), read-only memory (ROM), erasable programmable read-only memory (EPROM or flash memory), electrically erasable programmable read-only memory (EEPROM), static random access memory (SRAM), compact disc read-only memory (CD-ROM), digital versatile disks (DVD), Blu-ray (registered trademark) disks, memory sticks, integrated circuit cards, and the like.

[0090] Computer-readable instructions include any of source code and object code described by any combination of one or more programming languages ​​including assembly instructions, instruction set architecture (ISA) instructions, machine instructions, machine-dependent instructions, microcode, firmware instructions, state setting data, or object-oriented programming languages ​​such as Smalltalk (registered trademark), JAVA (registered trademark), C++, and existing procedural programming languages ​​such as the "C" programming language or similar programming languages.

[0091] The computer-readable instructions may be provided to a processor or programmable circuit of a programmable data processing device such as a general-purpose computer, a special-purpose computer, or other computer via a local area network (LAN) or a wide area network (WAN) such as the Internet, and the computer-readable instructions may be executed to create a means for performing the operations specified by the flowchart or block diagram. Examples of processors include computer processors, processing units, microprocessors, digital signal processors, controllers, microcontrollers, and the like.

[0092] Figure 10 This figure illustrates an example of a computer 2200 capable of implementing various aspects of the present invention in whole or in part. Programs installed on computer 2200 enable computer 2200 to perform operations associated with devices according to embodiments of the present invention or functions of one or more components of such devices, or to execute such operations or such one or more components, and / or enable computer 2200 to perform processes according to embodiments of the present invention or stages of such processes. Such programs can be executed by CPU 2212 to cause computer 2200 to perform specific operations associated with some or all of the modules in the flowcharts and block diagrams described in this specification.

[0093] The computer 2200 of this embodiment includes a CPU 2212, a RAM 2214, a graphics controller 2216, and a display device 2218, which are interconnected via a main controller 2210. The computer 2200 also includes input / output units such as a communication interface 2222, a hard disk drive 2224, a DVD-ROM drive 2226, and an IC card drive, which are connected to the main controller 2210 via an input / output controller 2220. The computer also includes conventional input / output units such as a ROM 2230 and a keyboard 2242, which are connected to the input / output controller 2220 via an input / output chip 2240.

[0094] The CPU 2212 controls each unit by operating according to programs stored in the ROM 2230 and the RAM 2214. The graphics controller 2216 acquires image data generated by the CPU 2212 from a frame buffer or the like provided in the RAM 2214 or from the graphics controller itself, and displays the image data on the display device 2218.

[0095] The communication interface 2222 is capable of communicating with other electronic devices via a network. The hard disk drive 2224 stores programs and data used by the CPU 2212 in the computer 2200. The DVD-ROM drive 2226 reads programs or data from the DVD-ROM 2201 and provides the programs or data to the hard disk drive 2224 via the RAM 2214. The IC card drive reads programs and data from an IC card and / or writes programs and data to an IC card.

[0096] The ROM 2230 stores therein a boot program or the like executed by the computer 2200 upon activation and / or programs that depend on the hardware of the computer 2200. The input / output chip 2240 may also connect various input / output units to the input / output controller 2220 via a parallel port, a serial port, a keyboard port, a mouse port, and the like.

[0097] The program is provided on a computer-readable medium such as a DVD-ROM 2201 or an IC card. The program is read from the computer-readable medium, installed in the hard disk drive 2224, RAM 2214, or ROM 2230, also examples of computer-readable media, and executed by the CPU 2212. The information processing described in these programs is read into the computer 2200, thereby enabling the program to cooperate with the various types of hardware resources described above. An apparatus or method can be constructed by implementing information manipulation or processing with the use of the computer 2200.

[0098] For example, when communication is performed between the computer 2200 and an external device, the CPU 2212 can execute a communication program loaded in the RAM 2214 and instruct the communication interface 2222 to perform communication processing based on the processing described in the communication program. Under the control of the CPU 2212, the communication interface 2222 reads transmission data stored in a transmission buffer area provided in a recording medium such as the RAM 2214, the hard disk drive 2224, the DVD-ROM 2201, or an IC card, and transmits the read transmission data to the network, or writes reception data received from the network to a reception buffer area provided on the recording medium.

[0099] Furthermore, the CPU 2212 can read all or a necessary portion of a file or database stored in an external recording medium such as the hard disk drive 2224, the DVD-ROM drive 2226 (DVD-ROM 2201), or an IC card into the RAM 2214, and perform various types of processing on the data in the RAM 2214. The CPU 2212 then writes the processed data back to the external recording medium.

[0100] Various types of information such as various types of programs, data, tables, and databases can be stored in a recording medium and subjected to information processing. The CPU 2212 performs various types of processing described in various places of this disclosure on the data read from the RAM 2214 and writes the results back to the RAM 2214. The various types of processing include various types of operations specified by the instruction sequence of the program, information processing, conditional judgment, conditional branching, unconditional branching, information retrieval / replacement, etc. In addition, the CPU 2212 can retrieve information in files, databases, etc. in the recording medium. For example, in the case where a plurality of entries each having an attribute value of a first attribute associated with an attribute value of a second attribute are stored in the recording medium, the CPU 2212 can retrieve an entry that is consistent with the condition specifying the attribute value of the first attribute from the plurality of entries, and read the attribute value of the second attribute stored in the entry, thereby obtaining the attribute value of the second attribute associated with the first attribute that meets the predetermined condition.

[0101] The programs or software modules described above can be stored in a computer-readable medium on or near the computer 2200. In addition, a recording medium such as a hard disk or RAM provided in a server system connected to a dedicated communication network or the Internet can be used as the computer-readable medium, thereby providing the program to the computer 2200 via the network.

[0102] While the present invention has been described above using the embodiments, the technical scope of the present invention is not limited to the scope described in the above embodiments. It is obvious to those skilled in the art that various modifications or improvements can be made to the above embodiments. As can be seen from the claims, embodiments with such modifications or improvements are also included in the technical scope of the present invention.

[0103] The order of execution of actions, processes, steps, and stages, etc., in the apparatus, system, program, and method described in the claims, specifications, and drawings is not specifically indicated as "before," "before," or the like. Furthermore, it should be noted that the actions, processes, steps, and stages may be executed in any order as long as the output of the previous process is not used in the subsequent process. Even if the action flow in the claims, specifications, and drawings is described using the phrases "first," "next," or the like for ease of explanation, it does not necessarily mean that the actions must be executed in that order. Description of Reference Numerals

[0104] 10 Reaction system, 20 Reaction apparatus, 30 Control apparatus, 100 First raw material tank, 102 First pump, 104 First liquid delivery pipe, 110 Second raw material tank, 112 Second pump, 114 Second liquid delivery pipe, 120 Third raw material tank, 122 Third pump, 124 Third liquid delivery pipe, 130 Fourth raw material tank, 132 Fourth pump, 134 Fourth liquid delivery pipe, 140 First mixer, 142 First reaction tube, 150 Second mixer, 152 Second reaction tube, 160 Third mixer, 162 Third reaction tube, 170 Target tank, 180 First sensor unit, 182 Second sensor unit, 184 Third sensor unit, 186 Fourth sensor unit, 188 Fifth sensor unit, 190 Sixth sensor unit, 192 Seventh sensor unit, 194 eighth sensor unit, 196 ninth sensor unit, 198 tenth sensor unit, 200 detection unit, 210 differentiation unit, 220 storage unit, 230 acquisition unit, 240 extraction unit, 250 calculation unit, 260 generation unit, 270 prediction unit, 280 abnormality judgment unit, 290 output unit, 2200 computer, 2201 DVD-ROM, 2210 main controller, 2212 CPU, 2214 RAM, 2216 graphics controller, 2218 display device, 2220 input / output controller, 2222 communication interface, 2224 hard disk drive, 2226 DVD-ROM drive, 2230 ROM, 2240 input / output chip, 2242 keyboard.

Claims

1. A fluid state prediction device, characterized in that: have: a detection unit that detects a fluid spectrum, wherein the fluid spectrum is a spectrum indicating a state of the fluid flowing through the flow channel; a differentiation part, which differentiates the fluid spectrum and derives a differential spectrum; An extraction unit, for extracting a first solvent spectrum of the fluid solvent by principal component analysis; a calculation unit that calculates a difference spectrum between the differential spectrum and the first solvent spectrum; as well as The prediction unit predicts the state of the fluid using data related to the calculated peak of the difference spectrum.

2. The fluid state prediction device according to claim 1, characterized in that: The invention further comprises a generating unit that uses the differential spectrum to generate a model that predicts the state of the fluid based on input data related to peaks in the differential spectrum of the fluid. The prediction unit inputs data related to the peak of the differential spectrum into the model to predict the state of the fluid.

3. The fluid state prediction device according to claim 1, characterized in that comprising an acquisition unit configured to acquire a second solvent spectrum corresponding to the solvent, The extraction unit extracts the first solvent spectrum from the differential spectrum by the principal component analysis using the second solvent spectrum.

4. The fluid state prediction device according to claim 3, characterized in that: The acquisition unit acquires the second solvent spectrum corresponding to the pH or temperature of the fluid.

5. The fluid state prediction device according to claim 4, characterized in that: The acquisition unit estimates the pH or temperature of the fluid and acquires the second solvent spectrum corresponding to the estimated pH or temperature.

6. The fluid state prediction device according to claim 5, characterized in that: The acquisition unit estimates the pH or temperature of the fluid based on a peak corresponding to water or a solvent in the fluid in the fluid spectrum, and acquires the second solvent spectrum corresponding to the estimated pH or temperature.

7. The fluid state prediction device according to claim 3, characterized in that: The method further comprises a storage unit for storing a plurality of second solvent spectra corresponding to a plurality of pH values ​​or a plurality of temperatures. The acquisition unit acquires the second solvent spectrum corresponding to the pH or temperature of the fluid among the plurality of second solvent spectra from the storage unit.

8. The fluid state prediction device according to claim 4, characterized in that: The acquisition unit acquires the second solvent spectrum in which peaks are corrected according to pH or temperature of the fluid.

9. The fluid state prediction device according to claim 1, characterized in that: The prediction unit predicts the reaction amount of the reaction in the fluid as the state of the fluid using data related to the peak of the difference spectrum.

10. The fluid state prediction device according to claim 9, characterized in that: The prediction unit predicts the remaining amount of the raw material in the fluid using data related to the peak of the difference spectrum.

11. The fluid state prediction device according to claim 10, characterized in that: The method further includes an abnormality determination unit configured to determine that a reaction of the fluid has occurred if the remaining amount of the raw material in the fluid predicted by the prediction unit is smaller than a predetermined threshold value.

12. A method for predicting fluid state, characterized in that: include: a step of detecting a fluid spectrum, wherein the fluid spectrum is a spectrum indicating a state of the fluid flowing through the flow channel; a step of differentiating the fluid spectrum and deriving a differential spectrum; A step of extracting a first solvent spectrum of the fluid solvent by principal component analysis; a step of calculating a difference spectrum between the differential spectrum and the first solvent spectrum; and A step of predicting the state of the fluid using data related to the calculated peak of the differential spectrum.

13. A storage medium, characterized in that: The computer stores a program, and by executing the program, the computer functions as a detection unit, a differentiation unit, an extraction unit, a calculation unit, and a prediction unit. The detection unit detects a fluid spectrum, which is a spectrum indicating a state of the fluid flowing through the flow channel. The differentiation unit differentiates the fluid spectrum to derive a differential spectrum. The extraction unit extracts a first solvent spectrum of the fluid solvent by principal component analysis. The calculation unit calculates a difference spectrum between the differential spectrum and the first solvent spectrum, The prediction unit predicts the state of the fluid using data related to the calculated peak of the difference spectrum.

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