Device, method, and program

The apparatus and method predict the reaction amount of a third fluid by calculating difference spectra of mixed fluids, addressing the challenge of non-destructive analysis in flow synthesis, ensuring efficient and reliable reaction monitoring.

JP2025143991APending Publication Date: 2025-10-02YOKOGAWA ELECTRIC CORP
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Patent Information

Application Number
JP2024043539
Authority / Receiving Office
JP · JP
Patent Type
Applications
Current Assignee / Owner
Filing Date
2024-03-19
Publication Date
2025-10-02

AI Technical Summary

Technical Problem

Existing technologies lack an efficient method to predict the reaction amount of a third fluid formed by mixing and reacting first and second fluids without destructively analyzing the target substance, which is crucial for processes like flow synthesis.

Method used

An apparatus and method that utilize an acquisition unit to gather fluid spectra, a calculation unit to calculate difference spectra, and a prediction unit to forecast the reaction amount of the third fluid by analyzing the difference between the sum spectrum of the first and second fluid spectra, considering factors like mixing ratios, flow velocities, and solvent amounts.

Benefits of technology

Enables accurate prediction of the reaction amount of the third fluid, allowing for real-time monitoring and control of reaction processes, thereby enhancing the efficiency and reliability of flow synthesis systems.

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Abstract

SOLUTION: There is provided a device for predicting a reaction amount of a third fluid which is obtained by mixing a first fluid flowing in a first channel and a second fluid flowing in a second channel and reacting them, and which flows in a third channel, the device comprising: an acquisition part for acquiring a first fluid spectrum of the first fluid, a second fluid spectrum of the second fluid, and a third fluid spectrum of the third fluid; a calculation part for calculating a difference spectrum between the third fluid spectrum and a total spectrum of the first fluid spectrum and the second fluid spectrum; and a prediction part predicting the reaction amount of the third fluid, using the difference spectrum.SELECTED DRAWING: Figure 1
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Description

[Technical Field]

[0001] The present invention relates to an apparatus, a method, and a program. [Background technology]

[0002] Patent documents 1 and 2 describe "an optical analysis system and an optical analysis method that can non-destructively analyze information about the optical isomerism of a target substance synthesized in a chemical reaction system without the need to extract a sample." [Prior art document] [Patent documents] Patent Document 1: Patent No. 7087696 Patent Document 2: Patent No. 7192473 Summary of the Invention

[0003] In a first aspect of the present invention, there is provided an apparatus for predicting the reaction amount of a third fluid flowing through a third flow path that is formed by mixing and reacting a first fluid flowing through a first flow path with a second fluid flowing through a second flow path, the apparatus comprising: an acquisition unit that acquires a first fluid spectrum of the first fluid, a second fluid spectrum of the second fluid, and a third fluid spectrum of the third fluid; a calculation unit that calculates a difference spectrum between the third fluid spectrum and the sum spectrum of the first fluid spectrum and the second fluid spectrum; and a prediction unit that predicts the reaction amount of the third fluid using the difference spectrum.

[0004] In the above device, the calculation section may calculate the total spectrum by summing the first fluid spectrum and the second fluid spectrum weighted according to the mixture ratio of the first fluid and the second fluid in the third fluid.

[0005] In the above-described device, the calculation unit may calculate the total spectrum by summing the first fluid spectrum and the second fluid spectrum weighted according to a mixing ratio based on the flow velocity of the first fluid and the flow velocity of the second fluid.

[0006] The calculation unit may calculate the total spectrum by summing the first fluid spectrum and the second fluid spectrum weighted according to a mixing ratio based on the setting value of a pump that flows the first fluid through the first flow path and the setting value of a pump that flows the second fluid through the second flow path.

[0007] In any of the above devices, the calculation unit may calculate the total spectrum by summing the first fluid spectrum and the second fluid spectrum weighted according to a mixing ratio based on the amount of solvent in the first fluid and the amount of solvent in the second fluid.

[0008] In any of the above devices, the acquisition unit may acquire third fluid spectra at multiple positions in the third flow path, the calculation unit may calculate difference spectra between each of the multiple third fluid spectra and the sum of the first fluid spectrum and the second fluid spectrum, and the prediction unit may predict the reaction amount of the third fluid using the multiple difference spectra.

[0009] In any of the above devices, the acquisition unit may acquire third fluid spectra at multiple positions in the third flow path, and the calculation unit may calculate a difference spectrum between an average spectrum of the multiple third fluid spectra and a total spectrum of the first fluid spectrum and the second fluid spectrum.

[0010] In any of the above devices, the calculation section may calculate a difference spectrum between the third fluid spectrum and a sum spectrum of the first fluid spectrum and the second fluid spectrum measured a predetermined period before the third fluid spectrum.

[0011] In a second aspect of the present invention, there is provided a method for predicting the reaction amount of a third fluid flowing through a third flow path that is formed by mixing and reacting a first fluid flowing through a first flow path with a second fluid flowing through a second flow path, the method comprising the steps of acquiring a first fluid spectrum of the first fluid, a second fluid spectrum of the second fluid, and a third fluid spectrum of the third fluid, calculating a difference spectrum between the third fluid spectrum and the sum spectrum of the first fluid spectrum and the second fluid spectrum, and predicting the reaction amount of the third fluid using the difference spectrum.

[0012] In a third aspect of the present invention, there is provided a program that is executed by a computer and causes the computer to function as an apparatus for predicting the reaction amount of a third fluid flowing through a third flow path that has been produced by mixing and reacting a first fluid flowing through a first flow path with a second fluid flowing through a second flow path, the program comprising: an acquisition unit that acquires a first fluid spectrum of the first fluid, a second fluid spectrum of the second fluid, and a third fluid spectrum of the third fluid; a calculation unit that calculates a difference spectrum between the third fluid spectrum and the sum spectrum of the first fluid spectrum and the second fluid spectrum; and a prediction unit that uses the difference spectrum to predict the reaction amount of the third fluid.

[0013] The above summary of the invention does not list all of the necessary features of the present invention, and subcombinations of these features may also constitute inventions. [Brief explanation of the drawings]

[0014] [Figure 1] 1 is a schematic diagram of a reaction system 10 according to the present embodiment. [Figure 2] A block diagram of the control device 30 is shown. [Figure 3] An example of a reaction flow in the reaction system 10 is shown. [Figure 4] FIG. 2 shows an explanatory diagram of an example of a first fluid spectrum. [Figure 5] 1 shows an explanatory diagram of an example of a second fluid spectrum. [Figure 6] 1 shows an illustration of an example of a sum spectrum. [Figure 7] 10 shows an explanatory diagram of an example of a third fluid spectrum. [Figure 8] 22 illustrates an example computer 2200 in which aspects of the present invention may be embodied, in whole or in part. DETAILED DESCRIPTION OF THE INVENTION

[0015] The present invention will be described below through embodiments of the invention, but the following embodiments do not limit the scope of the invention according to the claims. Furthermore, not all of the combinations of features described in the embodiments are necessarily essential to the solution of the invention.

[0016] 1 is a 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.

[0017] The reaction device 20 is connected to the control device 30. The reaction device 20 may be, for example, a flow reactor such as a microflow reactor that produces a target substance by flow synthesis or the like. The reaction device 20 includes a first raw material tank 100, a first pump 102, a first liquid supply pipe 104, a second raw material tank 110, a second pump 112, a second liquid supply pipe 114, a third raw material tank 120, a third pump 122, a third liquid supply pipe 124, a fourth raw material tank 130, a fourth pump 132, a fourth liquid supply pipe 134, a first mixer 140, a first reaction pipe 142, and a second mixer 144. The reaction system includes a first reaction tube 150, a second reaction tube 152, a third mixer 160, a third reaction tube 162, a target 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 will also be simply referred to as a sensor unit or a plurality of sensor units. The liquid transfer pipe and the reaction pipe in the reaction device 20 form a flow path from the raw material tank to the target product tank 170 .

[0018] The first raw material tank 100 is connected to the first mixer 140 via a first pump 102 and a first liquid supply pipe 104. The first raw material tank 100 contains a liquid first raw material. The first pump 102 supplies the first raw material from the first raw material tank 100 to the first liquid supply pipe 104 at a flow rate or flow rate according to preset reaction conditions. The first liquid supply pipe 104 forms a flow path therein. The first liquid supply pipe 104 may be a through-hole or a tube formed in a plate-like cell made of metal or resin. The first raw material fluid, which is the first raw material, flows into one inlet of the first mixer 140 through the flow path of the first liquid supply pipe 104.

[0019] The second raw material tank 110 is connected to the first mixer 140 via a second pump 112 and a second liquid supply pipe 114. The second raw material tank 110 contains a liquid second raw material. The second pump 112 supplies the second raw material from the second raw material tank 110 to the second liquid supply pipe 114 at a flow rate or flow rate according to preset reaction conditions. The second liquid supply pipe 114 forms a flow path therein. The second liquid supply pipe 114 may be a through-hole or a tube formed in a plate-like cell made of metal or resin. The second raw material fluid flows into the other inlet of the first mixer 140 through the flow path of the second liquid supply pipe 114.

[0020] The third raw material tank 120 is connected to the second mixer 150 via a third pump 122 and a third liquid supply pipe 124. The third raw material tank 120 contains a liquid third raw material. The third pump 122 supplies the third raw material from the third raw material tank 120 to the third liquid supply pipe 124 at a flow rate or flow rate according to preset reaction conditions. The third liquid supply pipe 124 forms a flow path therein. The third liquid supply pipe 124 may be a through-hole or a tube formed in a plate-like cell made of metal or resin. The third raw material fluid, which is the third raw material, flows into one of the inlets of the second mixer 150 through the flow path of the third liquid supply pipe 124.

[0021] The fourth raw material tank 130 is connected to the third mixer 160 via a fourth pump 132 and a fourth liquid supply pipe 134. The fourth raw material tank 130 contains a liquid fourth raw material. The fourth pump 132 supplies 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 preset reaction conditions. The fourth liquid supply pipe 134 forms a flow path therein. The fourth liquid supply pipe 134 may be formed of metal or resin, and may be a through-hole formed in a tube or plate-like cell. The fourth raw material fluid flows into one of the inlets of the third mixer 160 through the flow path of the fourth liquid supply pipe 134.

[0022] The first mixer 140 has an outlet connected to one end of the first reaction tube 142. The first mixer 140 may be a static mixer such as a T-shaped mixer or a Y-shaped mixer. The first mixer 140 mixes the first and second raw material fluids flowing in from two inlets, and discharges the mixture into the first reaction tube 142 as a first reaction fluid.

[0023] The other end of the first reaction tube 142 is connected to the second mixer 150. The first reaction tube 142 may be a through-hole or a tube formed in a plate-like cell made of metal or resin. A first reaction fluid flows through an internal flow path of the first reaction tube 142, and the first reaction fluid is discharged to the other inlet of the second mixer 150. A reaction of the first reaction fluid progresses while flowing through the first reaction tube 142, and an intermediate target product is produced by the reaction. The length, width, or shape of the reaction section in the first reaction tube 142 where the reaction progresses may be set in order to adjust reaction conditions such as reaction time.

[0024] The second mixer 150 has an outlet connected to one end of the second reaction tube 152. The second mixer 150 may 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 two inlets, and discharges the mixture into the second reaction tube 152 as the second reaction fluid.

[0025] The other end of the second reaction tube 152 is connected to the third mixer 160. The second reaction tube 152 may be a through-hole or a tube formed in a plate-like cell made of metal or resin. The second reaction tube 152 allows a second reaction fluid to flow through an internal flow path and discharges the second reaction fluid to the other inlet of the third mixer 160. The second reaction fluid undergoes a reaction while flowing through the second reaction tube 152, and an intermediate target product is produced by the reaction. The length, width, or shape of the reaction section in the second reaction tube 152 where the reaction proceeds may be set to adjust reaction conditions such as reaction time.

[0026] The third mixer 160 has an outlet connected to one end of the third reaction tube 162. The third mixer 160 may be a static mixer such as a T-shaped mixer or a Y-shaped mixer. The third mixer 160 mixes the second reaction fluid and the fourth raw material fluid flowing in from two inlets, and discharges the mixture into the third reaction tube 162 as a third reaction fluid.

[0027] The other end of the third reaction tube 162 is connected to the target product tank 170. The third reaction tube 162 may be a through-hole or a tube formed in a plate-like cell made of metal or resin. The third reaction tube 162 allows a third reaction fluid to flow through an internal flow path and discharges the third reaction fluid into the target product tank 170. The third reaction fluid undergoes a reaction while flowing through the third reaction tube 162, and a final target product is produced by the reaction. The reaction section in the third reaction tube 162 where the reaction proceeds may have a length, width, or shape set to adjust reaction conditions such as reaction time.

[0028] The target product tank 170 contains the third reaction fluid discharged from the third reaction tube 162. Note that, between the third reaction tube 162 and the target product tank 170, a device such as a filter may be disposed to separate by-products and the final target product from the third reaction fluid and extract the final target product.

[0029] The first sensor unit 180 is disposed in the first liquid feed tube 104 and detects the state of the first raw fluid in the first liquid feed tube 104. The first sensor unit 180 may detect the fluid spectrum of the first raw fluid in the first liquid feed tube 104. The first sensor unit 180 may have at least one of a Raman spectrometer, a near-infrared spectrometer, an infrared spectrometer, an ultraviolet spectrometer, a fluorescence spectrometer, or a visible spectrometer for detecting the fluid spectrum. The first sensor unit 180 may further detect at least one of the pressure, flow velocity, flow rate, or temperature of the fluid in the first liquid feed tube 104. Here, the fluid spectrum may be an absorption spectrum, a fluorescence spectrum, or a Raman scattering spectrum in the ultraviolet-visible region (wavelength 10 nm to 800 nm), the near-infrared region (wavelength 800 nm to 2500 nm), or the infrared region (wavelength 2500 nm to 25000 nm), and the same applies below.

[0030] The second sensor unit 182 is disposed in the second liquid feed tube 114 and detects the state of the second raw fluid in the second liquid feed tube 114. The second sensor unit 182 may detect the fluid spectrum of the second raw fluid in the second liquid feed tube 114. The second sensor unit 182 may have at least one of a Raman spectrometer, a near-infrared spectrometer, an infrared spectrometer, an ultraviolet spectrometer, a fluorescence spectrometer, or a visible spectrometer for detecting the fluid spectrum. The second sensor unit 182 may further detect at least one of the pressure, flow velocity, flow rate, or temperature of the second raw fluid in the second liquid feed tube 114.

[0031] The third sensor unit 184 is disposed in the third liquid feed tube 124 and detects the state of the third raw material fluid in the third liquid feed tube 124. The third sensor unit 184 may detect the fluid spectrum of the third raw material fluid in the third liquid feed tube 124. The third sensor unit 184 may have at least one of a Raman spectrometer, a near-infrared spectrometer, an infrared spectrometer, an ultraviolet spectrometer, a fluorescence spectrometer, or a visible spectrometer for detecting the fluid spectrum. The third sensor unit 184 may further detect at least one of the pressure, flow velocity, flow rate, or temperature of the third raw material fluid in the third liquid feed tube 124.

[0032] The fourth sensor unit 186 is disposed in the fourth liquid feed pipe 134 and detects the state of the fourth raw material fluid in the fourth liquid feed pipe 134. The fourth sensor unit 186 may detect the fluid spectrum of the fourth raw material fluid in the fourth liquid feed pipe 134. The fourth sensor unit 186 may have at least one of a Raman spectrometer, a near-infrared spectrometer, an infrared spectrometer, an ultraviolet spectrometer, a fluorescence spectrometer, or a visible spectrometer for detecting the fluid spectrum. The fourth sensor unit 186 may further detect at least one of the pressure, flow velocity, flow rate, or temperature of the fourth raw material fluid in the fourth liquid feed pipe 134.

[0033] The fifth sensor unit 188 is disposed in the first reaction tube 142 and detects the state of the first reaction fluid in the first reaction tube 142. The fifth sensor unit 188 may be disposed immediately before the second mixer 150, for example, at a position downstream of the reaction zone where the reaction in the first reaction tube 142 progresses (i.e., at a position where the reaction in the first reaction tube 142 is completed). The fifth sensor unit 188 may detect the fluid spectrum of the first reaction fluid in the first reaction tube 142. The fifth sensor unit 188 may have at least one of a Raman spectrometer, a near-infrared spectrometer, an infrared spectrometer, an ultraviolet spectrometer, a fluorescence spectrometer, or a visible spectrometer for detecting the fluid spectrum. The fifth sensor unit 188 may further detect at least one of the pressure, flow velocity, flow rate, and temperature of the first reaction fluid in the first reaction tube 142.

[0034] The sixth sensor unit 190, the seventh sensor unit 192, and the eighth sensor unit 194 are disposed in the second reaction tube 152 and detect the state of the second reaction fluid in the second reaction tube 152. The sixth sensor unit 190, the seventh sensor unit 192, and the eighth sensor unit 194 may detect the fluid spectrum of the second reaction fluid in the second reaction tube 152, respectively. The sixth sensor unit 190, the seventh sensor unit 192, and the eighth sensor unit 194 may be disposed at different positions in the second reaction tube 152 and detect the fluid spectrum at different positions in the second reaction tube 152. The sixth sensor unit 190, the seventh sensor unit 192, and the eighth sensor unit 194 may be disposed at three different positions downstream of the reaction zone where the reaction proceeds in the second reaction tube 152 (i.e., the position where the reaction in the second reaction tube 152 is completed), or may be disposed at the reaction zone where the reaction proceeds and downstream of the reaction zone, respectively. The sixth sensor unit 190, the seventh sensor unit 192, and the eighth sensor unit 194 may each have at least one of a Raman spectrometer, a near-infrared spectrometer, an infrared spectrometer, an ultraviolet spectrometer, a fluorescence spectrometer, and a visible spectrometer for detecting a fluid spectrum. The sixth sensor unit 190, the seventh sensor unit 192, and the eighth sensor unit 194 may further detect at least one of the pressure, flow velocity, flow rate, and temperature of the second reaction fluid in the second reaction tube 152.

[0035] The ninth sensor unit 196 is disposed in the third reaction tube 162 and detects the state of the third reaction fluid in the third reaction tube 162. The ninth sensor unit 196 may be disposed at a position downstream of the reaction zone where the reaction in the third reaction tube 162 progresses (i.e., a position where the reaction in the third reaction tube 162 is completed). The ninth sensor unit 196 may detect the fluid spectrum of the third reaction fluid in the third reaction tube 162. The ninth sensor unit 196 may have at least one of a Raman spectrometer, a near-infrared spectrometer, an infrared spectrometer, an ultraviolet spectrometer, a fluorescence spectrometer, or a visible spectrometer for detecting the fluid spectrum. The ninth sensor unit 196 may further detect at least one of the pressure, flow velocity, flow rate, and temperature of the third reaction fluid in the third reaction tube 162.

[0036] 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 may detect the spectroscopic spectrum of the target in the target tank 170. The tenth sensor unit 198 may have at least one of a Raman spectrometer, a near-infrared spectrometer, an infrared spectrometer, an ultraviolet spectrometer, a fluorescence spectrometer, or a visible spectrometer for detecting the spectroscopic spectrum. The tenth sensor unit 198 may further detect the temperature of the target in the target tank 170.

[0037] The control device 30 is connected to each component of the reactor 20. The control device 30 may be a computer such as a PC, tablet PC, smartphone, workstation, server computer, or general-purpose computer, or may be a computer system in which multiple computers are connected. Such a computer system is also considered a computer in a broad sense. The control device 30 may also be implemented by one or more virtual computer environments executable within a computer. Alternatively, the control device 30 may be a dedicated computer designed for the flow reactor, or may be dedicated hardware realized by dedicated circuits. The control device 30 may also be realized by cloud computing.

[0038] The control device 30 receives measurement results 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, or the tenth sensor unit 198. The control device 30 may predict the reaction state of the fluid from the measurement results, and transmit control data according to the prediction result to the reaction device 20 to control the reaction device 20.

[0039] 2 shows a more detailed block diagram of the control device 30. The control device 30 predicts the reaction amount of a third fluid flowing through a third flow path, which is formed by mixing and reacting a first fluid flowing through a first flow path and a second fluid flowing through a second flow path in the reaction device 20. Here, the first flow path, the second flow path, and the third flow path may each be a flow path inside at least one of the first liquid transfer tube 104, the second liquid transfer tube 114, the third liquid transfer tube 124, the fourth liquid transfer tube 134, the first reaction tube 142, the second reaction tube 152, and the third reaction tube 162 of the reaction device 20. The control device 30 includes an acquisition unit 200, a calculation unit 210, a prediction unit 220, an abnormality determination unit 230, and an output unit 240.

[0040] The acquisition unit 200 is connected to the reaction device 20. The acquisition unit 200 acquires a first fluid spectrum of a first fluid, a second fluid spectrum of a second fluid, and a third fluid spectrum of a third fluid. The acquisition unit 200 may receive measurement results indicating the state of the fluids 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, or the tenth sensor unit 198. The acquisition unit 200 may calculate the first fluid spectrum of the first fluid, the second fluid spectrum of the second fluid, and the third fluid spectrum of the third fluid from the received measurement results, or may receive measurement results indicating the first fluid spectrum of the first fluid, the second fluid spectrum of the second fluid, and the third fluid spectrum of the third fluid calculated in the reaction device 20.

[0041] The calculation unit 210 is connected to the acquisition unit 200. The calculation unit 210 calculates a difference spectrum between the third fluid spectrum and the sum spectrum of the first and second fluid spectra. The calculation unit 210 may calculate the sum spectrum by summing the first and second fluid spectra weighted according to the mixing ratio of the first and second fluids in the third fluid.

[0042] The prediction unit 220 is connected to the calculation unit 210. The prediction unit 220 uses the difference spectrum calculated by the calculation unit 210 to predict the reaction amount of the third fluid.

[0043] The abnormality determination unit 230 is connected to the prediction unit 220. The abnormality determination unit 230 determines, from the reaction amount of the third fluid predicted by the prediction unit 220, whether or not a reaction abnormality has occurred in the reaction device 20.

[0044] The output unit 240 is connected to the abnormality determination unit 230 and the reaction device 20. The output unit 240 outputs control data to the reaction device 20 according to the determination result in the abnormality determination unit 230. The output unit 240 may transmit display data for displaying the determination result in the abnormality determination unit 230 to an external display device.

[0045] FIG. 3 shows an example of a reaction flow in the reaction system 10. In the reaction flow in FIG. 3, as an example, in the reaction apparatus 20 shown in FIG. 1, raw material solutions containing different amino acids are supplied to each flow path 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 synthesize a peptide. The reaction flow in FIG. 3 mainly shows, as an example, an example in which the control device 30 determines a reaction abnormality of the fluid in the first reaction tube 142, the third liquid transfer tube 124, and the second reaction tube 152 connected to the second mixer 150. However, without being limited thereto, the control device 30 may also determine a reaction abnormality of the fluid in the first liquid transfer tube 104, the second liquid transfer tube 114, and the first reaction tube 142 connected to the first mixer 140, or in the second reaction tube 152, the fourth liquid transfer tube 134, and the third reaction tube 162 connected to the third mixer 160.

[0046] In step S300, the reactor 20 starts a reaction according to the reaction conditions (temperature, flow rate, flow velocity, pressure, etc. of the fluid in the flow path) set by the user. The reactor 20 operates the first pump 102, the second pump 112, the third pump 122, and the fourth pump 132 according to the set values ​​(e.g., discharge rate, pressure, or rotation speed) set in the reaction conditions to flow each raw material through the flow path.

[0047] In step S310, 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 each detect a measurement value indicative of the fluid spectrum of the fluid in the flow path.

[0048] For example, the third sensor unit 184 guides irradiation light having a wavelength in the ultraviolet-visible region (10 nm to 800 nm), near-infrared region (wavelength 800 nm to 2500 nm), or infrared region (wavelength 2500 nm to 25000 nm) from a light source such as a semiconductor laser into the inside of the flow path via a light-guiding component such as an optical fiber, and irradiates the fluid with the light. The third sensor unit 184 guides the measurement light that has passed through the inside of the flow path to a photodetector such as a photodiode via another light-guiding component, and the photodetector detects a fluid spectrum indicating the intensity or light absorption amount for each 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 may each detect a fluid spectrum in the same manner as the third sensor unit 184.

[0049] 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 each further detect measurements indicative of the pressure, flow rate, flow rate, and temperature of the fluid within the flow path they are disposed in. 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 each include at least one of a pressure sensor, a flow rate sensor, a flow rate sensor, or a temperature sensor.

[0050] In step S320, the acquisition unit 200 acquires a fluid spectrum. The acquisition unit 200 may receive fluid spectra from 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 acquisition unit 200 may perform preprocessing such as baseline correction, first derivative, and second derivative on the fluid spectrum. The acquiring unit 200 may further acquire from the reaction device 20 at least one of the set values ​​of the reaction conditions set by the user or the temperature, flow rate, or pressure of the fluid detected by 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 acquiring unit 200 may acquire the measurement values ​​including the fluid spectrum as well as the measurement times of the measurement values.

[0051] In step S330, the calculation unit 210 calculates a total spectrum from the fluid spectra of the first fluid and second fluid (preceding the mixer that mixes the first and second fluids) to be predicted. In this embodiment, the calculation unit 210 calculates the total spectrum based on the first fluid spectrum of the first reaction fluid acquired from the fifth sensor unit 188 and the second fluid spectrum of the third raw material fluid acquired from the third sensor unit 184. The calculation unit 210 may calculate the total spectrum by weighting the first fluid spectrum and the second fluid spectrum according to the mixing ratio of the first reaction fluid and the third raw material fluid, and summing them for each wavelength (wave number).

[0052] For example, the calculation unit 210 can calculate a total spectrum (a1×b1+a2×b2) by adding a value (a1×b1) obtained by multiplying a value a1 of the first fluid spectrum by a first weight b1 at any wavelength within the wavelength range of the measurement light to a value (a2×b2) obtained by multiplying a value a2 of the second fluid spectrum by a second weight b2. The calculation unit 210 can calculate the distribution of the total spectrum within the wavelength range by calculating the total spectrum while changing the wavelength across the wavelength range of the measurement light. The ratio of the first weight b1 to the second weight b2 may be set based on the mixing ratio of the corresponding fluids (in this embodiment, the mixing ratio of the first reaction fluid and the third raw material fluid). The sum of the first weight b1 and the second weight b2 may be set to 1. The control device 30 weights the fluid spectra based on the mixing ratio of the first fluid and the second fluid, and then sums them to perform a prediction that reflects the influence of the first fluid and the second fluid on the third fluid spectrum to be predicted. An example of setting the first weight b1 and the second weight b2 will be described below.

[0053] The calculation unit 210 may calculate a total spectrum by summing the first fluid spectrum and the second fluid spectrum, which are weighted according to a mixing ratio based on the flow rates of the first and second fluids. The calculation unit 210 may set the ratio of the first weight b1 to the second weight b2 to be equal to the ratio of the flow rate of the first fluid to the flow rate of the second fluid. In this embodiment, the calculation unit 210 may set the ratio of the first weight b1 to the second weight b2 to be equal to the ratio of the flow rate of the first reaction fluid acquired from the fifth sensor unit 188 to the flow rate of the third raw material fluid acquired from the third sensor unit 184. Note that, when the cross-sectional areas of the first and second flow paths are different, the calculation unit 210 may set the ratio of the first weight b1 to the second weight b2 to be equal to the ratio of the flow rate of the first fluid multiplied by the cross-sectional area of ​​the first flow path to the flow rate of the second fluid multiplied by the cross-sectional area of ​​the second flow path.

[0054] The calculation unit 210 may calculate a total spectrum by summing the first fluid spectrum and the second fluid spectrum, weighted according to a mixing ratio based on the setting value of the pump that supplies the first fluid to the first flow path and the setting value of the pump that supplies the second fluid to the second flow path. The calculation unit 210 may set the ratio of the first weight b1 to the second weight b2 to be equal to the ratio of the setting value of the pump that supplies the first fluid to the first flow path and the setting value of the pump that supplies the second fluid to the second flow path. The pump setting value may include, for example, at least one of the discharge rate, pressure, or rotation speed. In this embodiment, the calculation unit 210 may set the ratio of the first weight b1 to the second weight b2 to be equal to the ratio of the sum of the setting values ​​of the first pump 102 and the second pump 112 to the setting value of the third pump 122.

[0055] The calculation unit 210 may also calculate a total spectrum by summing the first fluid spectrum and the second fluid spectrum, which are weighted according to a mixing ratio based on the amounts of solvent in the first fluid and the second fluid. The calculation unit 210 may set the ratio of the first weight b1 to the second weight b2 to be equal to the ratio of the amount of solvent in the first fluid to the amount of solvent in the second fluid. The calculation unit 210 may calculate the amount of solvent in the first fluid by multiplying the concentration of the solvent in the source tank by the flow rate of the first fluid acquired by the acquisition unit 200. In this embodiment, the calculation unit 210 may set the ratio of the first weight b1 to the second weight b2 to be equal to the ratio of the amount of solvent in the first reaction fluid to the amount of solvent in the third source fluid. The calculation unit 210 may calculate the amount of solvent in the first reaction fluid by adding together the value obtained by multiplying the concentration of the solvent in the first raw material tank 100 by the flow rate of the first raw material fluid in the flow path of the first liquid feed pipe 104 detected by the first sensor unit 180 and the value obtained by multiplying the concentration of the solvent in the second raw material tank 110 by the flow rate of the second raw material fluid in the flow path of the second liquid feed pipe 114 detected by the second sensor unit 182. The calculation unit 210 may calculate the amount of solvent in the third raw material fluid by multiplying the concentration of the solvent in the third raw material tank 120 by the flow rate of the third raw material fluid in the flow path of the third liquid feed pipe 124 detected by the third sensor unit 184. The calculation unit 210 may also calculate a total spectrum by summing the first fluid spectrum and the second fluid spectrum weighted by weights determined using multivariate analysis. The calculation unit 210 may calculate and set the ratio of the first weight b1 to the second weight b2 according to the mixing ratio of the first fluid and the second fluid (for example, the ratio of the amount of solvent in the first fluid to the amount of solvent in the second fluid) using MCR (Multivariate Curve Resolution).

[0056] In step S340, the calculation unit 210 calculates the difference between the calculated total spectrum and the third fluid spectrum of the third fluid to calculate the difference spectrum. The calculation unit 210 may calculate the difference between the value of the total spectrum and the value of the third fluid spectrum at any wavelength within the wavelength range of the measurement light. The calculation unit 210 can calculate the distribution of the difference spectrum by calculating the difference spectrum while changing the wavelength across the wavelength range of the measurement light.

[0057] When the acquisition unit 200 acquires third fluid spectra at multiple positions in the third flow path, the calculation unit 210 may calculate difference spectra between each of the multiple third fluid spectra and the total spectrum of the first and second fluid spectra. The calculation unit 210 may calculate multiple difference spectra using third fluid spectra detected at different positions in a single reaction tube through which the third fluid flows. In this example, the calculation unit 210 may calculate three difference spectra by calculating the differences between the fluid spectra acquired by the acquisition unit 200 from each of the sixth sensor unit 190, the seventh sensor unit 192, and the eighth sensor unit 194 arranged in the second reaction tube 152 and the total spectrum.

[0058] When the acquisition unit 200 acquires third fluid spectra at multiple positions in the third flow path, the calculation unit 210 may calculate a difference spectrum between an average spectrum of the multiple third fluid spectra and a total spectrum of the first and second fluid spectra. The calculation unit 210 may calculate one difference spectrum using third fluid spectra detected at different positions in one reaction tube through which the third fluid flows. In this example, the calculation unit 210 may calculate an average spectrum of the fluid spectra acquired by the acquisition unit 200 from each of the sixth sensor unit 190, the seventh sensor unit 192, and the eighth sensor unit 194 arranged in the second reaction tube 152, and calculate the difference between the calculated average spectrum and the total spectrum to calculate the difference spectrum. By using the average spectrum, the calculation unit 210 can reduce the influence of detection errors of each sensor unit on the difference spectrum.

[0059] The calculation unit 210 may calculate a difference spectrum between the third fluid spectrum and a sum spectrum of the first and second fluid spectra measured a predetermined period before the third fluid spectrum. The calculation unit 210 may determine the sum spectrum using the measurement time acquired by the acquisition unit 200. By using the first and second fluid spectra measured before the measurement of the third fluid spectrum to be predicted, the calculation unit 210 can calculate the difference spectrum using the fluid spectra of the first and second fluids actually contained in the third fluid. The calculation unit 210 may calculate the difference spectrum using the third fluid spectrum and a sum spectrum of the first and second fluid spectra measured at least a reaction time before the measurement time of the third fluid spectrum. Furthermore, when the sensor unit performs measurements periodically, the calculation unit 210 may calculate the difference spectrum using the third fluid spectrum and a sum spectrum of the first and second fluid spectra measured a predetermined number of periods (for example, one period) before the measurement time of the third fluid spectrum.

[0060] In this embodiment, the differential spectrum may be calculated by calculating the difference between the third fluid spectrum acquired by the acquisition unit 200 from at least one of the sixth sensor unit 190, the seventh sensor unit 192, and the eighth sensor unit 194 arranged in the second reaction tube 152 and the sum spectrum of the first fluid spectrum and the second fluid spectrum measured a predetermined period before the third fluid spectrum.

[0061] In step S350, the prediction unit 220 predicts the reaction amount of the third fluid using the difference spectrum. The prediction unit 220 may predict the amount of the target substance of the reaction in the third fluid (for example, the concentration of the target substance in the third fluid, or the remaining amount of a raw material, etc.) or the presence or absence of the target substance in the third fluid. The prediction unit 220 may predict the amount of the target substance in the third fluid corresponding to the calculated difference spectrum from a calibration curve showing the relationship between the value of the difference spectrum (for example, the peak value or the wavelength at which the peak occurs) in the wavelength (wavenumber) range corresponding to the target substance and the amount of the target substance. The prediction unit 220 may have a calibration curve obtained in advance by an experiment, etc. In this embodiment, the prediction unit 220 may predict the concentration of the intermediate target substance produced by the reaction in the second reaction tube 152 from the calibration curve using the difference spectrum. As the calibration curve algorithm, PLS (Partial Least Square), PCR (Principle Component Regression), MLR (Multivariable Linear Regression), etc. may be used.

[0062] The prediction unit 220 may predict the reaction amount of the third fluid using multiple difference spectra. The prediction unit 220 may predict multiple reaction amounts corresponding to the multiple difference spectra. The prediction unit 220 may calculate a reaction change rate from the multiple reaction amounts corresponding to the multiple difference spectra. The prediction unit 220 may calculate the reaction change rate by dividing the difference in reaction amount between corresponding measurement positions by the interval (length of the flow path) between multiple measurement positions of the multiple third fluid spectra. In this embodiment, the prediction unit 220 may predict the concentration of each intermediate target product generated by the reaction in the second reaction tube 152 from the calibration curve using the third fluid spectrum acquired from the sixth sensor unit 190, the seventh sensor unit 192, or the eighth sensor unit 194. The prediction unit 220 may calculate the reaction change rate by dividing the difference between the concentration corresponding to the third fluid spectrum acquired from the sixth sensor unit 190 and the concentration corresponding to the third fluid spectrum acquired from the seventh sensor unit 192 by the length (spacing) of the flow path between the sixth sensor unit 190 and the seventh sensor unit 192. Similarly, the prediction unit 220 may calculate the reaction change rate by dividing the difference between the concentration corresponding to the third fluid spectrum acquired from the seventh sensor unit 192 and the concentration corresponding to the third fluid spectrum acquired from the eighth sensor unit 194 by the length (spacing) of the flow path between the seventh sensor unit 192 and the eighth sensor unit 194. The prediction unit 220 may also calculate an average value of multiple reaction amounts.

[0063] In step S360, the abnormality determination unit 230 determines whether a reaction abnormality has occurred in the third flow path based on the predicted reaction amount of the third fluid. The abnormality determination unit 230 may determine that a reaction abnormality has occurred if the predicted reaction amount of the third fluid is less than a predetermined threshold. Furthermore, the abnormality determination unit 230 may determine that a reaction abnormality has occurred if the reaction change rate calculated by the prediction unit 220 is less than a predetermined threshold. Here, the predetermined threshold may be determined by a user or the like depending on the theoretical value of the reaction amount of the third fluid. The control device 30 may predict the reaction amount of the fluid for each reaction tube in the reaction device 20, and the abnormality determination unit 230 may identify a reaction tube among the multiple reaction tubes in which the predicted reaction amount indicates an abnormality.

[0064] If the abnormality determination unit 230 determines that there is an abnormal reaction (Yes in FIG. 3), the control device 30 proceeds to step S370, and if the abnormality determination unit 230 determines that there is no abnormal reaction (No in FIG. 3), the control device 30 proceeds to step S310.

[0065] In step S370, the output unit 240 may transmit display data to the reaction device 20 to display that the abnormality determination unit 230 has determined that a reaction abnormality has occurred. The output unit 240 may transmit display data to the reaction device 20 to indicate, for example, a reaction tube that has been identified as having an abnormal reaction by the abnormality determination unit 230 among the multiple reaction tubes (the first reaction tube 142, the second reaction tube 152, and the third reaction tube 162). In addition, the output unit 240 may transmit control data to the reaction device 20 to stop the operation of the reaction device 20.

[0066] FIG. 4 is an explanatory diagram of an example of a first fluid spectrum. In the example of FIG. 4, the first fluid spectrum is an absorption spectrum measured by the fifth sensor unit 188, with the horizontal axis representing wavenumber and the vertical axis representing absorbance. In FIG. 4, wavenumber n represents one wavenumber within the wavenumber range of the measurement light. The fifth sensor unit 188 irradiates the first reaction fluid flowing through the flow path in the first reaction tube 142 with irradiation light, detects the measurement light transmitted through the fluid, and can measure absorbance from the intensity of the measurement light at each wavenumber. The first fluid spectrum in FIG. 4 has multiple peaks due to the solvent and raw materials such as amino acids in the first reaction fluid.

[0067] FIG. 5 is an explanatory diagram of an example of a second fluid spectrum. In the example of FIG. 5, the second fluid spectrum is an absorption spectrum measured by the third sensor unit 184, with the horizontal axis representing wavenumber and the vertical axis representing absorbance. In FIG. 5, wavenumber n represents one wavenumber within the wavenumber range of the measurement light. The third sensor unit 184 irradiates the third raw material fluid flowing through the flow path in the third liquid delivery tube 124 with irradiation light, detects the measurement light transmitted through the fluid, and can measure absorbance from the intensity of the measurement light at each wavenumber. The second fluid spectrum in FIG. 5 has multiple peaks due to the solvent and raw materials, such as amino acids, in the third raw material fluid.

[0068] FIG. 6 is an explanatory diagram of an example of a sum spectrum. The example in FIG. 6 shows a sum spectrum of the first fluid spectrum in FIG. 4 and the second fluid spectrum in FIG. 5, with the horizontal axis representing wavenumber and the vertical axis representing absorbance. For example, the calculation unit 210 calculates the sum spectrum at wavenumber n by weighting the absorbance of the first fluid spectrum shown in FIG. 4 and the absorbance of the second fluid spectrum shown in FIG. 5 at wavenumber n according to the fluid mixing ratio and summing them. The calculation unit 210 similarly calculates the sum spectrum over the entire wavenumber range of the measurement light.

[0069] FIG. 7 is an explanatory diagram of an example of a third fluid spectrum. In FIG. 7, the total spectrum is shown by a dashed line, and the third fluid spectrum is shown by a solid line. In the example of FIG. 7, the third fluid spectrum is an absorption spectrum measured by the eighth sensor unit 194, with the horizontal axis representing wavenumber and the vertical axis representing absorbance. In FIG. 7, wavenumber n represents one wavenumber within the wavenumber range of the measurement light. The eighth sensor unit 194 irradiates the second reaction fluid flowing through the flow path in the second reaction tube 152 with irradiation light, detects the measurement light transmitted through the fluid, and can measure absorbance from the intensity of the measurement light at each wavenumber. The third fluid spectrum in FIG. 7 has multiple peaks due to the solvent in the second reaction fluid, the unreacted amino acid raw material, and the target substance.

[0070] For example, the calculation unit 210 calculates the difference between the absorbance of the third fluid spectrum shown in Fig. 7 at wavenumber n and the absorbance of the total spectrum shown in Fig. 6 to calculate the difference spectrum at wavenumber n. The calculation unit 210 similarly calculates the difference spectrum over the entire wavenumber range of the measurement light.

[0071] According to this embodiment, the control device 30 can accurately predict the reaction amount in the third fluid by eliminating the influence of the first and second fluids before mixing on the spectrum of the third fluid. This allows the control device 30 to monitor the reaction in the reaction device 20 in real time and quickly detect any reaction abnormalities, thereby reducing waste of raw materials caused by reaction abnormalities and lowering the production costs of peptides and the like.

[0072] The acquiring unit 200 may have a table that associates fluid spectra with types of raw materials or reaction conditions of the fluid, which has been obtained by an experiment or the like, and in step S320, the acquiring unit 200 may acquire the fluid spectrum from the table. For example, the acquiring unit 200 may acquire, from the table, a fluid spectrum corresponding to the types of raw materials and solvents of the raw material fluid as the fluid spectrum of the raw material fluid in at least one of the first liquid feed tube 104, the second liquid feed tube 114, the third liquid feed tube 124, and the fourth liquid feed tube 134.

[0073] The controller 30 may also predict the reaction amount of the third reaction fluid in the third reaction tube 162 from a difference spectrum between the sum spectrum of the fluid spectrum of the second reaction fluid in the second reaction tube 152 and the fluid spectrum of the fourth raw material fluid in the fourth liquid transfer tube 134, and the fluid spectrum measured by the tenth sensor unit 198 disposed in the target tank 170. In this case, the controller 30 can also perform the reaction flow in the same way as steps S300 to S370 in FIG.

[0074] Furthermore, the fluid spectrum, sum spectrum, and difference spectrum may be a distribution of the intensity or absorbance of the measurement light in a wavelength range, or may be the intensity or absorbance of the measurement light at a predetermined wavelength.

[0075] Various embodiments of the present invention may be described with reference to flowcharts and block diagrams, where the blocks may represent (1) stages of a process in which operations are performed or (2) sections of an apparatus responsible for performing the operations. Particular stages and sections may be implemented by dedicated circuitry, programmable circuitry provided with computer-readable instructions stored on a computer-readable medium, and / or a processor provided with computer-readable instructions stored on a computer-readable medium. Dedicated circuitry may include digital and / or analog hardware circuitry, and may include integrated circuits (ICs) and / or discrete circuits. Programmable circuitry may include reconfigurable hardware circuitry, including logical AND, OR, XOR, NAND, NOR, and other logical operations, flip-flops, registers, memory elements such as field programmable gate arrays (FPGAs), programmable logic arrays (PLAs), and the like.

[0076] A computer-readable medium may include any tangible device capable of storing instructions that are executed by an appropriate device, such that the computer-readable medium having instructions stored thereon comprises an article of manufacture containing instructions that can be executed to create means for performing the operations specified in the flowcharts or block diagrams. Examples of computer-readable media may include electronic, magnetic, optical, electromagnetic, and semiconductor storage media. More specific examples of computer-readable media may include floppy disks, diskettes, 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 disc (DVD), Blu-ray disc, memory stick, integrated circuit card, and the like.

[0077] The computer readable instructions may include either assembler instructions, Instruction Set Architecture (ISA) instructions, machine instructions, machine-dependent instructions, microcode, firmware instructions, state-setting data, or source or object code written in any combination of one or more programming languages, including object-oriented programming languages ​​such as Smalltalk®, JAVA®, C++, etc., and conventional procedural programming languages ​​such as the “C” programming language or similar programming languages.

[0078] The computer-readable instructions may be provided to a processor or programmable circuitry of a programmable data processing apparatus, such as a general-purpose computer, special-purpose computer, or other computer, either locally or over a wide-area network (WAN) such as a local area network (LAN), the Internet, etc., which executes the computer-readable instructions to create means for performing the operations specified in the flowcharts or block diagrams. Examples of processors include computer processors, processing units, microprocessors, digital signal processors, controllers, microcontrollers, etc.

[0079] 8 illustrates an example of a computer 2200 in which aspects of the present invention may be embodied, in whole or in part. Programs installed on the computer 2200 may cause the computer 2200 to function as or perform operations associated with an apparatus or one or more sections of the apparatus according to embodiments of the present invention, and / or to perform a process or steps of a process according to embodiments of the present invention. Such programs may be executed by the CPU 2212 to cause the computer 2200 to perform specific operations associated with some or all of the blocks in the flowcharts and block diagrams described herein.

[0080] A computer 2200 according to this embodiment includes a CPU 2212, a RAM 2214, a graphics controller 2216, and a display device 2218, which are interconnected by a host 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 host controller 2210 via an input / output controller 2220. The computer also includes legacy 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.

[0081] The CPU 2212 operates according to programs stored in the ROM 2230 and RAM 2214, thereby controlling each unit. The graphics controller 2216 acquires image data generated by the CPU 2212 into a frame buffer or the like provided in the RAM 2214 or into the graphics controller 2216 itself, and causes the image data to be displayed on the display device 2218.

[0082] The communications interface 2222 communicates 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.

[0083] The ROM 2230 stores therein a boot program or the like that is 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, etc.

[0084] The programs are provided by a computer-readable medium such as a DVD-ROM 2201 or an IC card. The programs are read from the computer-readable medium, installed in the hard disk drive 2224, RAM 2214, or ROM 2230, which are also examples of computer-readable media, and executed by the CPU 2212. Information processing described in these programs is read by the computer 2200, and brings about cooperation between the programs and the various types of hardware resources described above. An apparatus or method may be configured by realizing information manipulation or processing in accordance with the use of the computer 2200.

[0085] For example, when communication is performed between the computer 2200 and an external device, the CPU 2212 may execute a communication program loaded into 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 processing area provided in the RAM 2214, the hard disk drive 2224, the DVD-ROM 2201, or a recording medium such as an IC card, and transmits the read transmission data to the network, or writes reception data received from the network to a reception buffer processing area or the like provided on the recording medium.

[0086] The CPU 2212 may also cause all or a necessary portion of a file or database stored on an external recording medium such as the hard disk drive 2224, the DVD-ROM drive 2226 (DVD-ROM 2201), an IC card, etc. to be read into the RAM 2214, and perform various types of processing on the data on the RAM 2214. The CPU 2212 then writes back the processed data to the external recording medium.

[0087] Various types of information, such as various types of programs, data, tables, and databases, may be stored on the recording medium and may undergo information processing. The CPU 2212 may perform various types of processing on data read from the RAM 2214, including various types of operations, information processing, conditional judgment, conditional branching, unconditional branching, information search / replacement, etc., as described throughout this disclosure and specified by the instruction sequences of the programs, and write the results back to the RAM 2214. The CPU 2212 may also search for information in a file, database, etc. on the recording medium. For example, if multiple entries each having an attribute value of a first attribute associated with an attribute value of a second attribute are stored on the recording medium, the CPU 2212 may search for an entry that matches a condition specified by the attribute value of the first attribute from among the multiple entries, read the attribute value of the second attribute stored in the entry, and thereby obtain the attribute value of the second attribute associated with the first attribute that satisfies a predetermined condition.

[0088] The above-described programs or software modules may be stored in a computer-readable medium on or near the computer 2200. 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 also be used as a computer-readable medium, thereby providing the programs to the computer 2200 via the network.

[0089] Although the present invention has been described above using embodiments, the technical scope of the present invention is not limited to the scope described in the above embodiments. It will be apparent to those skilled in the art that various modifications and improvements can be made to the above embodiments. It is clear from the claims that such modifications and improvements can also be included within the technical scope of the present invention.

[0090] It should be noted that the execution order of each process, such as operations, procedures, steps, and stages, in the devices, systems, programs, and methods shown in the claims, specifications, and drawings is not specifically stated as "before," "prior to," etc., and that the processes can be performed in any order unless the output of a previous process is used in a subsequent process. Even if the operational flow in the claims, specifications, and drawings is described using "first," "next," etc. for convenience, this does not mean that the processes must be performed in this order. [Explanation of symbols]

[0091] 10. Reaction System 20 Reactor 30 Control device 100 First raw material tank 102 First Pump 104 First liquid supply pipe 110 Second raw material tank 112 Second Pump 114 Second liquid supply pipe 120 Third raw material tank 122 Third Pump 124 Third liquid supply pipe 130 4th raw material tank 132 4th Pump 134 No. 4 liquid supply pipe 140 First Mixer 142 First Reaction Tube 150 Second Mixer 152 Second Reaction Tube 160 3rd Mixer 162 Third Reaction Tube 170 Destination Tank 180 First sensor section 182 Second sensor section 184 Third Sensor Unit 186 4th Sensor Unit 188 5th Sensor Section 190 6th Sensor Section 192 7th Sensor Section 194 8th Sensor Unit 196 9th Sensor Section 198 10th Sensor Section 200 Acquisition Department 210 Calculation Unit 220 Prediction Department 230 Abnormality determination section 240 Output section 2200 Computer 2201 DVD-ROM 2210 host 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 I / O chip 2242 keyboard

Claims

1. An apparatus for predicting a reaction amount of a third fluid flowing through a third flow path, the third fluid being obtained by mixing and reacting a first fluid flowing through a first flow path with a second fluid flowing through a second flow path, the apparatus comprising: an acquisition unit that acquires a first fluid spectrum of the first fluid, a second fluid spectrum of the second fluid, and a third fluid spectrum of the third fluid; a calculation unit that calculates a difference spectrum between the third fluid spectrum and a sum spectrum of the first fluid spectrum and the second fluid spectrum; a prediction unit that predicts the reaction amount of the third fluid using the difference spectrum; Equipped with Device.

2. The calculation unit calculates the total spectrum by summing the first fluid spectrum and the second fluid spectrum weighted according to a mixing ratio of the first fluid and the second fluid in the third fluid.

10. The apparatus of claim 1.

3. The calculation unit calculates the sum spectrum by summing the first fluid spectrum and the second fluid spectrum weighted according to the mixing ratio based on the flow velocity of the first fluid and the flow velocity of the second fluid.

3. The apparatus of claim 2.

4. The calculation unit calculates the total spectrum by summing the first fluid spectrum and the second fluid spectrum weighted according to the mixing ratio based on a setting value of a pump that causes the first fluid to flow through the first flow path and a setting value of a pump that causes the second fluid to flow through the second flow path.

3. The apparatus of claim 2.

5. The calculation unit calculates the sum spectrum by summing the first fluid spectrum and the second fluid spectrum weighted according to the mixing ratio based on the solvent amount of the first fluid and the solvent amount of the second fluid.

3. The apparatus of claim 2.

6. the acquisition unit acquires the third fluid spectrum at a plurality of positions in the third flow path; the calculation unit calculates the difference spectrum between each of the plurality of third fluid spectra and the sum spectrum of the first fluid spectrum and the second fluid spectrum; The prediction unit predicts the reaction amount of the third fluid using the plurality of difference spectra.

10. The apparatus of claim 1.

7. the acquisition unit acquires the third fluid spectrum at a plurality of positions in the third flow path; The calculation unit calculates the difference spectrum between an average spectrum of the plurality of third fluid spectra and the sum spectrum of the first fluid spectrum and the second fluid spectrum.

10. The apparatus of claim 1.

8. The calculation unit calculates the difference spectrum between the third fluid spectrum and the sum spectrum of the first fluid spectrum and the second fluid spectrum measured a predetermined period before the third fluid spectrum.

10. The apparatus of claim 1.

9. A method for predicting a reaction amount of a third fluid flowing through a third flow path, which is obtained by mixing and reacting a first fluid flowing through a first flow path with a second fluid flowing through a second flow path, comprising: obtaining a first fluid spectrum of the first fluid, a second fluid spectrum of the second fluid, and a third fluid spectrum of the third fluid; calculating a difference spectrum between the third fluid spectrum and a sum spectrum of the first fluid spectrum and the second fluid spectrum; predicting the amount of reaction of the third fluid using the difference spectrum; Equipped with method.

10. A program for predicting a reaction amount of a third fluid flowing through a third flow path obtained by mixing and reacting a first fluid flowing through a first flow path with a second fluid flowing through a second flow path, the program comprising: The method is executed by a computer, causing the computer to: an acquisition unit that acquires a first fluid spectrum of the first fluid, a second fluid spectrum of the second fluid, and a third fluid spectrum of the third fluid; a calculation unit that calculates a difference spectrum between the third fluid spectrum and a sum spectrum of the first fluid spectrum and the second fluid spectrum; a prediction unit that predicts the reaction amount of the third fluid using the difference spectrum; A program that functions as a