Flow Reactor Reaction Amount Prediction With Difference Spectra

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Solution Overview

Problem

Existing technologies face challenges in predicting the reaction amount of a third fluid resulting from the mixing and reaction of first and second fluids without destructive sampling, particularly in flow reactors.

Innovation Solution

An apparatus and method that utilize an acquisition unit to gather fluid spectra from multiple sensors, a calculation unit to calculate a difference spectrum based on weighted fluid spectra, and a prediction unit to estimate the reaction amount of the third fluid by analyzing the difference spectrum.

Engineering Contradictions & Design Principles

VSEngineering Contradiction Analysis

1Measurement precision

If destructive sampling is used to measure reaction amount, then measurement accuracy is improved, but productivity and system efficiency deteriorate due to sample extraction complexity and potential contamination

Engineering Contradiction:
Improvereaction amount measurement accuracyVSAvoidreaction system efficiency
Core Design Contradiction:
Measurement precisionVSProductivity

Solution Approach 1:

The patent replaces mechanical/physical sampling operations with optical measurement. Instead of extracting physical samples through needles or probes (mechanical system), the system uses light interaction with the reaction mixture to obtain spectral information. This substitution eliminates the need for sample extraction apparatus and operations, thereby maintaining measurement accuracy while improving productivity and preventing contamination.

Inventive Principle:
Principle #28Mechanics substitution (Replace mechanical system)

Solution Approach 2:

The patent introduces light as an intermediary substance to transfer information about the reaction amount. Light interacts with the reaction mixture and carries spectral information that reflects the reaction state. This intermediary approach allows non-contact, non-invasive measurement, avoiding the harmful effects of sample extraction while preserving measurement precision.

Inventive Principle:
Principle #24Intermediary (Mediator)

2Loss of information

If sample extraction is performed to analyze reaction progress, then reaction amount information is obtained, but the system becomes more complex and contamination risk increases

Engineering Contradiction:
Improvereaction progress informationVSAvoidsample extraction system complexity
Core Design Contradiction:
Loss of informationVSDevice complexity

Solution Approach 1:

The patent replaces the mechanical sample extraction system with an optical measurement system. Instead of using needles, probes, or physical sampling apparatus to obtain reaction mixture samples, the system directs light through the reaction mixture and detects the transmitted or scattered light. This substitution dramatically simplifies the device structure while maintaining the ability to obtain complete reaction progress information.

Inventive Principle:
Principle #28Mechanics substitution (Replace mechanical system)

Solution Approach 2:

The patent creates an optical copy or representation of the reaction state through spectral data. Instead of physically extracting and analyzing the reaction mixture, the system obtains a spectral fingerprint that copies the essential information about composition and reaction progress. This copying approach eliminates the need for physical sample handling apparatus while preserving all necessary analytical information.

Inventive Principle:
Principle #26Copying

3Measurement precision

If multiple spectra are measured and processed, then prediction accuracy is improved, but calculation complexity increases

Engineering Contradiction:
Improvereaction amount prediction accuracyVSAvoidspectrum processing complexity
Core Design Contradiction:
Measurement precisionVSDevice complexity

Solution Approach 1:

The patent performs preliminary actions by pre-storing reference spectra of reactants and products, and pre-establishing the relationship between spectral features and reaction amounts. During actual measurement, the system only needs to compare the measured spectrum against these pre-prepared references using established algorithms, rather than performing complex analysis from scratch. This preliminary preparation reduces real-time calculation complexity while maintaining high prediction accuracy.

Inventive Principle:
Principle #10Preliminary action

Solution Approach 2:

The patent implements feedback mechanisms where the measured spectrum is compared with expected spectra based on reaction conditions, and the difference (error) is used to refine the reaction amount prediction. This feedback approach allows the system to iteratively improve accuracy by adjusting predictions based on actual spectral measurements, achieving high precision without requiring excessively complex processing of multiple spectra simultaneously.

Inventive Principle:
Principle #23Feedback

Applied Scientific Principles

This section explains which scientific principles are used to turn an abstract innovation direction into a practical engineering solution.

Function Achieved in This Case

Enables non-destructive prediction of the reaction amount and reaction state in flow reactors, enhancing control and efficiency in synthesizing target substances.

Implementation Method 1

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

Methodology Applied
Scientific EffectAbsorption Spectroscopy: Absorption Spectroscopy

Data Source

PatentEP4621413A1Apparatus, method, and program
Publication Date: 2025.09.24 YOKOGAWA ELECTRIC CORP
  • EP4621413A1 patent drawingFigure 1
  • EP4621413A1 patent drawingFigure 2
  • EP4621413A1 patent drawingFigure 3

AI summary

There is provided an apparatus to predict a reaction amount of a third fluid flowing through a third flow channel obtained by a first fluid flowing through a first flow channel and a second fluid flowing through a second flow channel being mixed and reacted with each other, the apparatus comprising: an acquisition unit which 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 which calculates 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 unit which predicts a reaction amount of the third fluid using the difference spectrum.