This papers deals with the study of the fayalite with high content of iron in the initial layer of coal ash, using the generalized gradient approximation and Perdew-Wang91 algorithm based on the Quantum chemistry. By calculating, we found that the gap between the highest occupied molecular orbital(HOMO) energy and the lowest unoccupied molecular orbital(LUMO) energy of the Fayalite is very small, so the structure is unstable. Thus show that the water-cooling wall slagging more active due to Fe atoms,prone to transformations of physical phenomena.
Put forward a new method to prepare polyaluminium ferric chloride (PAFC). Discuss the effect of starting materials, reaction processes on the leaching ratios of alumina and iron oxide. Application properties were tested. The results showed that both diasporic bauxite and the red mud from gibbsite (RMG) do not need to be baked. In the case of diasporic bauxite, the leaching ratios of alumina and iron oxide reach 4.15% and 78.32% respectively under the conditions that the concentration of hydrochloric acid is 6mol/L, the reaction time is 60 minutes, the reaction temperature is about 109°C, and the way of extracting is two-step extracting. In the case of RMG, the leaching ratios of alumina and iron oxide reach 89.00% and 98.39% respectively under the same conditions. Diasporic bauxite is not a suitable raw material for PAFC synthesizing. The PAFC prepared from RMG was used to treat active black KN-B dye-containing wastewater and the Kaolin-containing wastewater. The maximum depollution ratio is 98.0% and 97.0 % respectively.
The physical properties of nano-Mn3O4 is Characterize by theory base clusters of Physical Chemistry, Including the lattice structure, catalytic properties, the phenomenon of giant magnetic and giant magnetoresistance, N dimensional wave function is approximation to be expressed as variational parameters of nonlinear multivariate function by Density Functional Theory, Extreme functional is obtained by Wavelet analysis ,And analyzed the data characteristics on relationship between Particle size, concentration, temperature, magnetic field strength of a4 , a5 and time, Compared with bulk materials, nano materials, bond angles, bond length parameters, Resolved electron spin states and relativistic effects of the problem, Correction of the uneven distribution of electron density because the error caused.
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