Method for calculating element reaction kinetics based on mass spectrum ion flow characteristics

Abstract

The invention relates to a method for calculating element reaction kinetics based on mass spectrum ion flow characteristics. The method comprises the following steps: carrying out a thermal analysis-mass spectrum analysis combined experiment on a to-be-detected sample at different heating rates to obtain an ion flow spectrum using the strength as a vertical coordinate and temperature as a horizontal coordinate; selecting a gaseous product capable of characterizing the process characteristics of an element reaction as characteristic gas, and determining an ion flow curve of the characteristic gas according to a charge-to-mass ratio; differentiating the determined ion flow curve to obtain a differential curve characterizing by containing a wave crest and a wave trough by the element reactionin the differential curve; with a wave crest starting temperature as a reaction starting temperature and a trough ending temperature as a reaction ending temperature, carrying out integration on theion flow curve of the characteristic gas in the range to obtain an integral curve and outputting text data to obtain change data of the element reaction conversion rate with the temperature, processing the ion flow spectrums, obtained at different rising rates, of the characteristic gas successively and carrying out processing based on a kinetics computation method to obtain a kinetic equation ofthe element reaction.

Description

technical field [0001] The invention belongs to the technical field of testing and analysis, in particular to a method for calculating elementary reaction kinetics based on mass spectrum ion flow characteristics. Background technique [0002] Mass spectrometry is an analytical method for measuring the charge-to-mass ratio (charge-mass ratio) of ions. The basic principle is to ionize the components in the sample in the ion source to form positively charged ions with different charge-to-mass ratios. After the action of the accelerating electric field, an ion beam is formed and enters the mass analyzer. In the mass analyzer, the electric and magnetic fields are used to make the opposite velocity dispersion occur, and they are respectively focused to obtain a mass spectrum, thereby determining its mass. The fragment ions are tested by mass spectrometry, which can realize the whole process of online detection, and the change law of the obtained fragment ion peaks represents the ...

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Problems solved by technology

The method adopted in the present invention to obtain the release flow rate of characteristic gaseous products produced by the reaction based on mass spectrometry analysis realizes the separation of some elementary reactions from complex reaction processes, and solves the mechanism research of traditional thermal analysis kinetic methods on complex reactions Unable to adapt to the problem, expanding the application range of thermal analysis kinetics

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