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Digital twin system based on Grignard reaction

A Grignard reaction and twinning technology, applied in the fields of electrical digital data processing, biological neural network models, instruments, etc., can solve the problems that the Grignard reaction cannot be realistically simulated

Pending Publication Date: 2022-08-09
杭州百子尖科技股份有限公司
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  • Summary
  • Abstract
  • Description
  • Claims
  • Application Information

AI Technical Summary

Problems solved by technology

[0005] The present invention aims at the problem that the Grignard reaction cannot be realistically simulated only by using the reaction kinetic model in the prior art, and provides a digital twin system based on the Grignard reaction

Method used

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  • Digital twin system based on Grignard reaction
  • Digital twin system based on Grignard reaction
  • Digital twin system based on Grignard reaction

Examples

Experimental program
Comparison scheme
Effect test

Embodiment 1

[0068] A digital twin system based on Grignard reaction, the method includes:

[0069] Acquisition of sample data; sample data includes the temperature of the Grignard reactor, the pressure of the Grignard reactor, the raw material flow rate of the reactants, the reaction time of the reactants, the power of the stirring propeller motor of the Grignard reactor, the flow rate of the output material and the outlet reaction composition of matter;

[0070] Filtering of sample data is to filter the obtained sample data; to make the sample data accurately reflect the actual production situation, the sample data must be filtered, and the data that obviously deviates from the normal value should be filtered out. The normal value is generally about 30% of the design value. These data may be caused by factors such as instrument anomalies;

[0071] For the calculation of the concentration of the reactant, the calculation of the concentration of the reactant is carried out through the the...

Embodiment 2

[0114] On the basis of Embodiment 1, the present invention also provides a digital twin system based on Grignard reaction, which includes:

[0115] The acquisition module of sample data, the sample data includes the temperature of the Grignard reactor, the pressure of the Grignard reactor, the raw material flow rate of the reactant, the reaction time of the reactant, the power of the stirring paddle motor of the Grignard reactor, the flow rate of the output material and the outlet the composition of the reactants;

[0116] The filter module of sample data, the filter module of sample data filters the obtained sample data;

[0117]The calculation module of reactant concentration, the calculation module of reactant concentration is used to calculate the reactant concentration through the thermodynamic model for the filtered sample data;

[0118] The establishment module of Grignard reaction model, the establishment module of Grignard reaction model, based on the calculated reac...

Embodiment 3

[0120] Based on the above embodiments, a storage medium includes a storage medium implemented by a Grignard reaction-based digital twin system.

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Abstract

The invention relates to a Grignard reaction modeling technology, and discloses a digital twin system based on Grignard reaction, and the method comprises the steps: obtaining sample data; filtering of the sample data: filtering the obtained sample data; preprocessing the sample data, and calculating the reactant concentration of the filtered sample data through a thermodynamic model; and establishing a Grignard reaction model, namely establishing a reaction model by utilizing an RBF neural network model according to the calculated reactant concentration so as to determine the Grignard reaction model. According to the method, a hybrid model is constructed by using industrial production data through a hybrid modeling mode, namely a mode of combining a mechanism model and a machine learning method, so that the Grignard reaction can be well simulated.

Description

technical field [0001] The invention relates to a Grignard reaction modeling technology, in particular to a Grignard reaction-based digital twin system. Background technique [0002] Grignard reagents have significant chemical activity and can abstract protons from water and other Lewis acids. Conjugation addition reaction and halogenated hydrocarbon reduction reaction, etc. [0003] RMgX + R’COR’’ ---> RR’R’’COMgX (carbonyl addition reaction). [0004] For the simulation of Grignard reaction, it is usually necessary to obtain reaction kinetic data and select an appropriate kinetic model to calculate the degree of reaction. However, the obtained reaction kinetic simulation is still partial to theory. In the actual reaction process, the size, structure, Stirring speed, temperature disturbance, etc. will affect the reaction, so just using the reaction kinetic model cannot simulate the reaction process well. SUMMARY OF THE INVENTION [0005] Aiming at the problem in the...

Claims

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Application Information

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Patent Type & Authority Applications(China)
IPC IPC(8): G06F30/27B01J19/00G06N3/04G06N3/08G06F119/08G06F119/14
CPCG06F30/27B01J19/0006G06N3/08G06F2119/08G06F2119/14G06N3/044
Inventor 葛铭黄彩霞魏江沈井学
Owner 杭州百子尖科技股份有限公司
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