JP3786217B2 - Chemical reaction apparatus and method - Google Patents

Description

[0001]
BACKGROUND OF THE INVENTION
The present invention relates to a chemical reaction apparatus and method, and more particularly to a chemical reaction apparatus and method for automatically generating a desired substance by dynamically changing the function of chemical treatment.
[0002]
[Prior art]
Conventionally, when a chemical reaction is performed to generate a desired substance, if a processing method for generating the desired substance from the raw material is clear, the desired substance is generated by manipulating the raw material according to the processing method. Can do. However, if the treatment method is not clear, it is required to produce a substance by adding various chemical operations to the raw material empirically or frustratedly. Therefore, when a chemical reaction is performed by a conventional technique to generate a desired substance, knowledge based on experience and a lot of human operations are required.
[0003]
[Problems to be solved by the invention]
Thus, when the processing method for generating the desired substance is not clear, knowledge based on experience and a lot of human operations are required, and it takes considerable cost and time to find the method for generating the desired substance. It has a problem.
[0004]
The present invention has been made in view of such circumstances, and can automatically search for a processing method for generating a desired substance, and requires almost no knowledge based on experience and many human operations. Without finding a method for producing a desired substance.
[0005]
[Means for Solving the Problems]
The chemical reaction apparatus according to claim 1 is a chemical reaction apparatus that dynamically generates a desired substance by dynamically changing a combination of processes of chemical reactions, and a state that each process of chemical reactions can take. Fitness that is an index indicating how close to a desired substance a plurality of chemical reaction means constituted by a plurality of chemical reaction units that can take one of the states, and a product output by the plurality of chemical reaction means A product analysis means for calculating the chemical reaction means, and a control means for changing the processing function of the chemical reaction means based on a genetic algorithm from the analysis result of the product by the product analysis means. Adaptation of each product analyzed by product analysis means, assigning chromosomes to execute genetic algorithm for each chemical reaction means according to the number of process types and the number of chemical reaction processes Depending on the chemical reaction means, the chromosomes assigned to each chemical reaction means are crossed or mutated to change one chromosome of the plurality of chemical reaction means, and each chemistry in the chemical reaction means is changed based on the changed chromosome. It is characterized by changing the state of the reaction part .
[0007]
In the chemical reaction device according to claim 1, the plurality of chemical reaction means includes a plurality of chemical reaction units that can take one of the states that each process of the chemical reaction can take, and the product analysis means The fitness, which is an index indicating how close the product output from the plurality of chemical reaction means is to the desired substance, is calculated, and the control means calculates the genetic algorithm from the analysis result of the product by the product analysis means. To change the processing function of the chemical reaction means, and the control means executes the genetic algorithm for each chemical reaction means according to the number of types of chemical reaction processes and the number of chemical reaction processes. By performing the crossover process or mutation process of the assigned chromosome for each chemical reaction means according to the fitness of each product analyzed by the product analysis means To change the one chromosome of the number of chemical reactions means, changing the state of the chemical reaction section in the chemical reaction section based on the modified chromosome.
[0009]
DETAILED DESCRIPTION OF THE INVENTION
FIG. 1 shows a configuration example of an embodiment of the chemical reaction apparatus of the present invention. This embodiment includes a plurality of chemical reaction circuits 1-1 to 1-N (chemical reaction means). The chemical reaction circuits 1-1 to 1-N process the raw material supplied from the raw material input device 2 to generate a product, and output the product to the product analyzer 3 (product analysis means). Has been made. Further, the chemical reaction circuits 1-1 to 1-N can change the function of the circuit in accordance with a signal supplied from the arithmetic device 4 (control means).
[0010]
The product analyzer 3 evaluates the products generated by the chemical reaction circuits 1-1 to 1-N, and determines the fitness, which is an index indicating how close the product is to the desired substance, for each of the products. It calculates with respect to a product, and supplies these fitness to the arithmetic unit 4. The arithmetic unit 4 determines new functions for the chemical reaction circuits 1-1 to 1-N from these fitness values based on a genetic algorithm (GA), and determines those functions. Each of the chemical reaction circuits 1-1 to 1-N is supplied by a control signal.
[0011]
FIG. 2 shows a configuration example of the arithmetic device 4. The arithmetic device 4 includes a CPU 21, which performs various processes according to programs stored in the ROM 22, for example, according to the fitness of each product supplied from the product analyzer 3 according to a GA program. The new functions of the chemical reactors 1-1 to 1-N are calculated. The RAM 23 appropriately stores data, programs and the like necessary for the CPU 21 to perform various processes.
[0012]
The fitness of each product calculated by the product analyzer 3 is supplied to the computing device 4 via the interface 24. Similarly, the supply of signals representing the functions of the circuits to the chemical reaction circuits 1-1 to 1-N and the command for supplying the raw material to the raw material input device 2 are also performed via the interface 24.
[0013]
FIG. 3 shows a configuration example of an embodiment of the chemical reaction circuit 1-1 (1-2 to 1-N are also configured in the same manner). In this configuration example, the chemical reaction circuit 1-1 includes micro fluid systems (MIFS: Micro Integrated Fluid System) 41-1 to 41-8 that can change a chemical processing function by an electric signal. The MIFS 41-1 and 41-5 are configured to be supplied with raw materials from the raw material input device 2. Each MIFS 41-1 to 41-8 performs processing instructed by the arithmetic device 4, and the final-stage MIFS 41-8 supplies the product to the product analyzer 3. All chemical reaction circuits 1-1 to 1-N have the same number of MIFS.
[0014]
The MIFS 41-i can be the one introduced by Koji Ikuta et al. As THREE DIMENSIONAL MICRO INTEGRATED FLUID SYSTEM (MIFS) FABRICATED BY STEREO LITHOGRAPY in IEEE Micro Electro Mechanical Systems, January 25-28, 1994. FIG. 4 shows an example of the configuration.
[0015]
The MIFS 61 (corresponding to MIFS 41-i in FIG. 3) includes a microfluidic processing unit 61a and an electronic circuit unit 61b. In the MIFS 61, the electronic circuit 61b controls and sets the function of the microfluidic processing unit 61a that performs a predetermined process on the input liquid in response to the input control signal.
[0016]
In the microfluidic processing unit 61a, for example, a sample liquid and an aerial liquid are supplied, a predetermined process is performed, and a waste liquid generated at that time is discharged. The column 64 and the cell 63 guide these liquids. The pressure of the erosion liquid is adjusted by the pump 62.
[0017]
In the electronic circuit unit 61 b, the arithmetic circuit 67 includes an actuator 68 that drives the pump 62, a pressure sensor 70 that monitors the pressure in the pipe that changes as the pump 62 is driven, and an optical sensor 69 that monitors waste liquid passing through the cell 63. Has been made to control. Further, a control signal can be supplied to the arithmetic circuit 67 from the outside (the arithmetic device 4) through the pin 71.
[0018]
In addition to this, the MIFS 61 shown in this configuration example is provided with a plurality of functions such as a function of applying heat and a function of applying vibration, and by opening and closing a valve by a control signal, It is also possible to select the processing to be performed on.
[0019]
FIG. 5 shows that each of the MIFSs 41-1 to 41-8 has a process A when a predetermined function among the five types of functions of the processes A to E is set by a control signal. An example in which any one of the processes E to E is assigned is shown.
[0020]
In the embodiment of FIG. 1, a genetic algorithm is applied to each chemical reaction circuit 1-1 to 1-N. For this reason, each process is expressed as a chromosome.
[0021]
As shown in FIG. 6, the chromosome 81 is represented by a binary number of a plurality of digits. For example, if the number of process types that can be assigned to one MIFS is four, a two-digit binary number is required. If five to eight types are used, a three-digit binary number is converted to one MIFS. Necessary for expressing a combination of processes. Therefore, when expressing a chemical reaction circuit having N MIFSs with 5 to 8 types of processes, a binary number of (3 × N) digits is required.
[0022]
For example, if there are five types of processes, process A to process E, process A is represented by binary number 000. Similarly, process B to process E can be expressed in binary numbers 001 to 100 in order.
[0023]
In this configuration example, MIFS has five types of functions, and one chemical reaction circuit is composed of eight MIFSs 41-1 to 41-8, so that the combination of MIFS and processing is expressed. The 24 digits (= 8 × 3 digits) binary number is required for each chemical reaction circuit. The 24-digit binary number is a chromosome representing a combination of MIFS and processing in one chemical reaction circuit. Therefore, the same number of 24-digit binary variables (chromosomes) as the chemical reaction circuits 1-1 to 1-N are required.
[0024]
For example, a chromosome expressing a combination of MIFS 41-1 to 41-8 shown in FIG. 5 and a process to be executed is a chromosome 81 shown in FIG. That is, as shown in FIG. 6, since process A is assigned to MIFS 41-1 and process B is assigned to MIFS 41-2, it starts with 000001 and is hereinafter referred to as MIFS 41-3 to 41-8. Since processes A, C, D, E, D, and E are allocated, it becomes 0000100111000011100, which is represented by a binary number having a total of 24 digits.
[0025]
In GA, an object to be evolved is expressed by a binary number of multiple digits. Then, a group of chromosomes composed of a predetermined number of chromosomes is prepared, and the initial value of each chromosome of this group is determined by a random number. Then, after selecting a chromosome from this population and performing a selection process for creating a chromosome pair, a crossover process for creating a next-generation chromosome from the chromosome pair is performed. Furthermore, mutation processing is performed with a predetermined low probability.
[0026]
After performing these processes, how close each chromosome is to the target is evaluated, and this degree is indicated by fitness. In the next selection process, it is expected that the average fitness of chromosomes can be increased by increasing the probability of forming more pairs for chromosomes with higher fitness (closer to the target). A chromosome having properties can be obtained.
[0027]
In this configuration example, the combination of processes for MIFS is expressed by chromosomes. Therefore, each time the chromosomes are evolved based on GA, the chemical reaction circuits 1-1 to 1-N have new processing functions. You will have each. And the chemical reaction circuit 1-1 thru | or 1-N produce | generate a product, and the product analyzer 3 analyzes these products, and calculates the fitness with respect to each product. These fitness values are supplied to the calculation device 4, and the calculation device 4 converts these fitness values into functions of new generations of next-generation chromosomes, that is, chemical reaction circuits 1-1 to 1-N. Reflect to get closer to the desired material. Therefore, as the evolution of chromosomes proceeds, the chemical reaction circuits 1-1 to 1-N have a function of generating a desired substance.
[0028]
In this configuration example, selection processing is performed by selecting a chromosome from a population of chromosomes with a probability proportional to fitness and creating a pair of chromosomes. Therefore, there is a high probability that chromosomes with high fitness will form many pairs. In the crossover process, for the pair of chromosomes created in the selection process, the place where two chromosomes are crossed is determined by random numbers, and the values of all digits after that digit are exchanged between the two chromosomes. To do. For example, when the chromosome 00101100 and the chromosome 11101101 are crossed in the fifth digit from the left, two chromosomes of the chromosome 000100101 and the chromosome 1111011100 are created.
[0029]
Mutation processing changes the value of a digit determined by a random number in a chromosome, and is performed with a certain low probability when a next-generation chromosome is created. When performing the mutation process, the digit to be changed is determined using a random number, and the number of digits is changed from 0 to 1 or from 1 to 0. For example, when the mutation process is performed on the chromosome 00101, if the second digit from the left is selected with a random number, the chromosome generated by this process is 011001.
[0030]
In this way, in GA, selection processing, crossover processing, and chromosome evaluation are repeated, and mutation is performed at a predetermined probability in each iteration to generate chromosomes that obtain better evaluation.
[0031]
Next, the operation of the above embodiment will be described with reference to the flowchart of FIG.
[0032]
First, in step S1, the arithmetic device 4 prepares the same number of GA chromosomes as the number of chemical reaction circuits 1-1 to 1-N. The initial values of these chromosomes are determined using random numbers for each chromosome. Next, in step S2, the arithmetic unit 4 supplies a signal of a combination of processes for MIFS represented by each chromosome to the chemical reaction circuits 1-1 to 1-N corresponding to each chromosome. Then, the chemical reaction circuits 1-1 to 1-N assign processes to the MIFS according to the supplied signals.
[0033]
And it progresses to step S3, and after the arithmetic unit 4 issues the raw material supply command to the raw material input device 2, the chemical reaction circuits 1-1 to 1-N generate a product by a newly combined process. . In step S4, the product analyzer 3 evaluates the product and supplies the result to the arithmetic device 4.
[0034]
In step S5, the arithmetic unit 4 checks whether or not the target substance has been generated from the evaluation of the products of the chemical reaction circuits 1-1 to 1-N supplied from the product analyzer 3. If not, the process proceeds to step S6, where the arithmetic device 4 performs a selection process for creating a pair from the chromosome population, and subsequently performs a crossover process for the chromosome pair in step S7. In step S8, the arithmetic device 4 performs the mutation process with a predetermined low probability.
[0035]
Thereafter, the processes in steps S2 to S8 are repeated until the target substance is generated. By doing in this way, the combination of the process which each chromosome for every generation expresses is evaluated, and each chemical reaction circuit 1-1 thru | or 1-N comes to have a function which produces | generates a desired substance. .
[0036]
【The invention's effect】
According to the chemical reaction device of claim 1, the function of the chemical treatment is dynamically changed so that the generated product is analyzed and the product is brought close to the target substance based on the analysis result. As a result, the desired material can be generated automatically and in a short time at a low cost with little human intervention.
[Brief description of the drawings]
FIG. 1 is a block diagram showing a configuration example of an embodiment of a chemical reaction apparatus of the present invention.
FIG. 2 is a block diagram showing a configuration example of an arithmetic device 4 in the embodiment of FIG.
3 is a block diagram showing a configuration example of chemical reaction circuits 1-1 to 1-N in the embodiment of FIG.
4 is a diagram showing a configuration example of a microfluidic system (MIFS) in the configuration example of FIG. 3. FIG.
FIG. 5 is a diagram for explaining a combination of MIFS and a process in the configuration example of FIG. 3;
6 is a diagram for explaining a chromosome of a genetic algorithm expressing a combination of MIFS and a process shown in FIG. 5. FIG.
FIG. 7 is a flowchart for explaining processing of a configuration example of an embodiment of the chemical reaction device of the present invention.
[Explanation of symbols]
1-1 to 1-N Chemical reaction circuit 2 Raw material input device 3 Product analyzer 4 Computing device 21 CPU
22 ROM
23 RAM
24 Interface 41-1 to 41-8 Microfluidic system (MIFS)
61 Microfluidic system (MIFS)
61a Microfluidic part 61b of microfluidic system (MIFS) 61b Electronic circuit part 81 of microfluidic system (MIFS) Chromosome

Claims (3)

A chemical reaction apparatus for automatically generating a desired substance by dynamically changing a combination of processes of chemical reactions,
A plurality of chemical reaction means constituted by a plurality of chemical reaction units capable of taking one of the states that each process of the chemical reaction can take ;
Product analysis means for calculating fitness, which is an index indicating how close the product output from the plurality of chemical reaction means is to a desired substance ;
A control means for changing a processing function of the chemical reaction means based on a genetic algorithm from the analysis result of the product by the product analysis means , and
The control means assigns a chromosome for executing the genetic algorithm for each chemical reaction means according to the number of types of chemical reaction processes and the number of chemical reaction processes,
By performing a crossover process or a mutation process of the chromosome assigned to each chemical reaction means according to the fitness of each product analyzed by the product analysis means, one chromosome of the plurality of chemical reaction means Make changes,
A chemical reaction apparatus characterized by changing the state of each chemical reaction part in the chemical reaction means based on the changed chromosome . The chemical reaction apparatus according to claim 1, wherein the chromosome is a binary digit having a plurality of digits. The control means is characterized in that, with regard to the fitness calculated by the analysis means, a chromosome corresponding to the product having a higher fitness has a higher probability of cross-processing with another chromosome. The chemical reaction device according to claim 1 .

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