A Simulation Investigation on the Free Radical Decomposition Mechanism of Hydrogen Peroxide

Hydrogen peroxide (H2O2) is an important green inorganic chemical product used widely in pulp bleaching. But H2O2 often leads to dangerous explosion accidents in the production and transportation process. In this paper, the Density function theory (DFT) B3LYP method was used to simulate the free rad...

Full description

Bibliographic Details
Main Authors: X. Jia, F. Zhang, Y. Xin, W. Xu, N. Shi, Z. Lv
Format: Article
Language:English
Published: AIDIC Servizi S.r.l. 2017-10-01
Series:Chemical Engineering Transactions
Online Access:https://www.cetjournal.it/index.php/cet/article/view/334