Abstract:In order to efficiently utilize titanium element in titanium-containing blast furnace slag, the effects of B2O3 content on microstructure and transport properties of CaO-SiO2-B2O3-TiO2 series blast furnace slag were studied by molecular dynamics simulation method. The results show that when the content of B2O3 is 4%, the bond length of B—O, Si—O, Ti—O and Ca—O is 1.34, 1.62, 1.95 and 2.24 ?, respectively. There are stable structural units of [SiO4] tetrahedron, [BO3] triangle and [TiO6] octahedron. Adding B2O3 to the system does not change the distribution of O—Si—O, O—B—O and O—Ti—O bond angles. With the addition of B2O3, Si—O—Si and B—O—B bond angles rise from 156.12° and 148.43° to 158.17° and 157.08°, respectively. Most of the Ti—O—Ti bond angles distribute at 100.48°, and a small part of the Ti—O—Ti bond angles drop from 140.17° to 135.53°. With the increase of B2O3 content, the proportion of B—O—M(Ca, Si, B and Ti) oxygen connections increase, the high coordination structure in the melt depolymerizes to low coordination structure, the overall polymerization degree of the system decreases, the self-diffusion coefficients of all ions increase, and the melt viscosity drops from 0.183 Pa?s to 0.140 Pa?s.