Study On Explosion Mechanism Of Hydrogen Peroxide And Working Solution In The Hydrogen Peroxide Plant

Hydrogen peroxide is one of the world’s major basic chemical products.At present,the main production methods of hydrogen peroxide in China are anthraquinone,which is prepared by hydrogenation,oxidation,extraction,purification and concentration.In the extraction process,when the concentration of hydrogen peroxide in the extraction tower exceeds a certain concentration,it will form a heterogeneous system with the working fluid.The development of direct extraction of high concentration hydrogen peroxide is greatly restricted.The study on the systemof hydrogen peroxide with working solution in the extraction tower is great significance to the safety and optimization of extraction process.The research object of this thesis is Sinopec refining company in Hebei Province.In this paper,explosion law of hydrogen peroxide with working solution in extraction column was studied.In order to simplify the multi-system,explosion law in a ternary compound system that composed of hydrogen peroxide,trioctyl phosphate and mesitylene was studied.It was found that the system of hydrogen peroxide with mesitylene was in the range of explosion after the concentration of hydrogen peroxide was more than 58%.After adding the surfactant,the concentration was 44.3%.when the concentration of hydrogen peroxide is greater than 42.9%,the system of trioctyl phosphate with hydrogen peroxide was in the range of explosion.when the concentration of hydrogen peroxide is greater than 46.7%,the system of working solution with hydrogen peroxide was in the range of explosion.After adding the surfactant,the concentration was 42.3%.On the basis of the above experiments,the explosive products of the system were collected and analyzed,and the mechanism of explosive reaction was predicted.The quantum chemistry software is used to simulate the transition state of each step in the reaction mechanism of the self decomposition of hydrogen peroxide by using density functional theory.The existence of transition state is verified by frequency analysis and IRC,and the enthalpy of decomposition reaction was calculated.the preliminary reaction mechanism of hydrogen peroxide with mesitylene were studied by the same method.Based on the molecular simulation and the analysis of the electron cloud and charge distribution,the preliminary reaction mechanism of hydrogen peroxide with mesitylene was obtained.The preliminary reaction mechanism of hydrogen peroxide with mesitylene and the mechanism of the decomposition of hydrogen peroxide was analyzed on the molecular scale.This provides basis and guidance for safe production and use of high concentration hydrogen peroxide.