Method for determining critical moment and thermodynamic state parameters of chemical reaction containing gas phase components

By constructing a stoichiometric window function and utilizing the reaction execution rates of different components during the reaction process, the problem of inaccurate identification of reaction characteristics in existing technologies is solved, enabling accurate identification of reaction critical moments and states, and reducing human error and path dependence.

CN115639307BActive Publication Date: 2026-07-03INST OF ENGINEERING THERMOPHYSICS - CHINESE ACAD OF SCI
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Patent Information

Authority / Receiving Office
CN · China
Patent Type
Patents(China)
Current Assignee / Owner
INST OF ENGINEERING THERMOPHYSICS - CHINESE ACAD OF SCI
Filing Date
2021-07-19
Publication Date
2026-07-03

AI Technical Summary

Technical Problem

Existing methods for detecting and analyzing critical moments and states in reaction processes cannot accurately distinguish the characteristics of specific reaction processes. This results in fundamental distortions and significant human errors in the tangent method, making it unable to identify multiple reaction processes. Furthermore, the detection results are greatly affected by path dependence.

Method used

By constructing a stoichiometric window function, the critical moment and state of the reaction are determined by utilizing the dynamic consistency of the reaction execution rates of different components during the reaction execution. This includes acquiring thermogravimetric and mass spectrometry data, calculating stoichiometric coefficients and mass changes, and constructing a stoichiometric window function to determine the critical moment of the reaction.

Benefits of technology

It enables accurate identification of the reaction process, avoids path dependence, reduces human error, and can accurately determine the start and end times of the reaction and their corresponding thermodynamic state parameters.

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Abstract

This disclosure provides a method for determining the critical moment and thermodynamic state parameters of a chemical reaction containing a gaseous component. The method for determining the critical moment of a chemical reaction containing a gaseous component includes determining a first stoichiometric coefficient and a first mass change of a first substance in the chemical reaction, and a second stoichiometric coefficient and a second mass change of a second substance. Both the first and second substances include at least one of the following: a gaseous component in the chemical reaction, a solid component in the chemical reaction, and a liquid component in the chemical reaction; determining a first reaction execution rate based on the first mass change and the first stoichiometric coefficient; determining a second reaction execution rate based on the second mass change and the second stoichiometric coefficient; obtaining a stoichiometric window function to characterize the critical moment of the chemical reaction containing a gaseous component based on the first and second reaction execution rates; and determining the critical moment of the above reaction based on the stoichiometric window function.
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