Polymerization of silicate and aluminate tetrahedra in glasses, melts and aqueous solutions—II. The network modifying effects of Mg2+ , K+, Na+, Li+, H+, OH−, F−, Cl−, H2O, CO2 and H3O+ on silicate polymers

摘要: Abstract The effect of the group IA and VIIA ions, as well Mg2+, molecules H2O, CO2, H3O+ OH− on energy Si-O bond in a H6Si2O7 cluster has been calculated using semiempirical molecular orbital calculations (CNDO/2). Three types elementary processes, i.e. substitution, addition, polymerization reactions have used to interpret data dynamic viscosity, surface tension charge, hydrolytic weakening, diffusivity, conductivity, freezing point depression, degree silicates melts, glasses, aqueous solutions. As test our calculational procedure, observed X-ray emission spectra binary alkali silicate glasses were compared with electronic spectra. known bondlength variations between bridging [Si-O(br)] non-bridging [Si-O(nbr)] are shown be due propagation oscillating bond-energy patterns through silica framework. A kinetic interpretation some results is given terms Bell-Evans-Polanyi reaction principle.