New Technology. Times Ammonium Phosphate Prepared Its Oxygen Mechanism Of Quantum Chemistry Research

Two parts have been included in this thesis.In the first part, ammonium hypophosphite has been prepared from calcium hypophosphite through double decomposition reaction. Considering the two factors of filtration time and water containing of the sediment, calcium hypophosphite and salvolatile are chosen as the raw materials. The best technics conditions have probed and the craft parameters are provided. The function mechanism of salvolatile has also been studied preliminarily that can explanation the experiment phenomenon rationally. Finally the ammonium phosphate obtained is used to aluminum electrolytic capacitor to test its effect. The results indicate that the ammonium hypophosphite can meet the requirement of condensers.In the second part, aiming at the experiment phenomenon of ammonium hypophosphite can suppress gas producing in the condenser, The reaction mechanisms of H2PO2-and O have been studied using quantum chemistry methods on the basis of the chemical reaction transition state theory of Eyring,etc. The geometries for all species were calculated at MP2/6-311+G (d) lever of theory, and the relative structure date of the reactants, intermediate, transition state and products are given. The transition states and intermediates of these reactions are verified by frequency analysis. The relationship of reactants, transition states, intermediates and products in affirmed by IRC. In order to study the influence of solvent, the reactions is optimize and calculate by SCRF at the same level of gaseous phase adopting Onsager model.