Title : ( A DFT Study on the Kinetics of the Thermal Decomposition of Formaldehyde Diperoxide )
Authors: Mohammad Khavani , Mohammad Izadyar ,
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Abstract
A DFT study on the kinetics of the thermal decomposition of formaldehyde diperoxide has been performed. According to obtained data, the rate of the decomposition reaction with increasing the temperature is increased. Comparison between the gas phase and the water shows that the reaction in water is faster than gas phase because water as a solvent reduce the activation Gibbs free energy.
Keywords
Kinetics; Reaction rate; Transition state; natural charges
@inproceedings{paperid:1043880,
author = {Khavani, Mohammad and Izadyar, Mohammad},
title = {A DFT Study on the Kinetics of the Thermal Decomposition of Formaldehyde Diperoxide},
booktitle = {17th Iranian Physical Chemistry Conference},
year = {2014},
location = {Tehran, IRAN},
keywords = {Kinetics; Reaction rate; Transition state; natural charges},
}
%0 Conference Proceedings
%T A DFT Study on the Kinetics of the Thermal Decomposition of Formaldehyde Diperoxide
%A Khavani, Mohammad
%A Izadyar, Mohammad
%J 17th Iranian Physical Chemistry Conference
%D 2014
