Method for calculating single reaction dynamics from complex reaction based on thermal analysis-infrared analysis combination

Abstract

The invention discloses a method for calculating single reaction dynamics from complex reaction based on thermal analysis-infrared analysis combination. According to the method, a thermal analysis-infrared analysis combination combined test means is adopted, on-line detection is carried out on a gaseous product generated by thermal analysis through an infrared absorption spectrum, the infrared absorption spectrum information of the gas product is recorded in real time, and gas component analysis and flow calculation are carried out; and a characteristic gas product capable of representing thesingle reaction process is selected, the flow data of the characteristic gas single component are extracted and are converted into reaction conversion rate-time (temperature) data points after being subjected to mathematical treatment, and dynamics computation of the single reaction is carried out according to the data points. Compared with the prior art, the method has the advantages that the problem that the single reaction dynamics cannot be calculated from the overlapped complex reaction process due to the fact that traditional thermal analysis dynamics adopts TG or DSC data can be solved,a realization means is provided for research and control of the single reaction in the complex reaction, and the application range of thermal analysis dynamics is widened.

Description

technical field [0001] The invention belongs to the technical field of testing and analysis, in particular to a method for calculating single reaction kinetics from complex reactions based on thermal analysis-infrared analysis. Background technique [0002] Kinetic analysis is one of the basic methods of material research. Through kinetic analysis, thermal reaction characteristics, kinetic parameters (such as apparent activation energy, pre-exponential factor, etc.), reaction mechanism and kinetic equations of materials can be obtained. The traditional kinetic analysis method is to use thermal analysis, use the TG or DSC data obtained from the thermal analysis test to calculate the reaction conversion rate data, and then perform fitting calculations on the reaction conversion rate-temperature (or time) data according to the kinetic algorithm, so as to obtain Parameters and kinetic equations such as apparent activation energy, pre-exponential factor and reaction mechanism. ...

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Problems solved by technology

For such samples, the TG and DSC data obtained by thermal analysis test are the result of the superposition of mass changes or heat changes of multiple single reactions, so it is impossible to distinguish the information of each single reaction in complex reactions

Therefore, traditional methods can only obtain macroscopic kinetic equations for complex reactions, but cannot analyze and calculate kinetics for a single reaction.

In scientific research and production practice, it usually involves situations where some important single reactions need to be separated from complex reactions for research and control, and the existing kinetic methods are usually powerless to meet such needs

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