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- W2019953669 abstract "The effect of the group IA and VIIA ions, as well as Mg2+, and the molecules H2O, CO2, H3O+ and OH− on the energy of the Si-O bond in a H6Si2O7 cluster has been calculated using semiempirical molecular orbital calculations (CNDO/2). Three types of elementary processes, i.e. substitution, addition, and polymerization reactions have been used to interpret data on the dynamic viscosity, surface tension and surface charge, hydrolytic weakening, diffusivity, conductivity, freezing point depression, and degree of polymerization of silicates in melts, glasses, and aqueous solutions. As a test of our calculational procedure, observed X-ray emission spectra of binary alkali silicate glasses were compared with calculated electronic spectra. The well known bondlength variations between the bridging bond [Si-O(br)] and the non-bridging bond [Si-O(nbr)] in alkali silicates are shown to be due to the propagation of oscillating bond-energy patterns through the silica framework. A kinetic interpretation of some results of our calculations is given in terms of the Bell-Evans-Polanyi reaction principle." @default.
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- W2019953669 date "1980-11-01" @default.
- W2019953669 modified "2023-09-27" @default.
- W2019953669 title "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" @default.
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- W2019953669 doi "https://doi.org/10.1016/0016-7037(80)90216-1" @default.
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