Metall. Res. Technol.
Volume 115, Number 1, 2018
|Number of page(s)||6|
|Published online||28 November 2017|
Structure evolution of blast furnace slag with high Al2O3 Content and 5 mass% TiO2 via molecular dynamics simulation and fourier transform infrared spectroscopy
School of Metallurgy Materials Engineering, Chongqing University of Science and Technology,
Chongqing, PR China
* email: firstname.lastname@example.org
Accepted: 19 October 2017
The structure of a quenched blast furnace slag containing 5 mass% TiO2 was investigated via molecular dynamics simulation and Fourier transform infrared spectroscopy. The simulation and experimental results obtained revealed that the slag possesses a depolymerized network of [SiO4] and [AlO4] tetrahedra. At a fixed CaO/SiO2 mass fraction of 1.17 and 12 mass% Al2O3, increasing the amount of MgO decreased the bridging oxygen fraction in the slag system, thus resulting in silicate depolymerization. At a fixed CaO/SiO2 mass fraction of 1.17 and 8 mass% MgO, increasing Al2O3 content increased the bridging oxygen fraction because of the polymerization of aluminate structures. At a fixed 8 mass% MgO and 12 mass% Al2O3, increasing the CaO/SiO2 mass fraction from 1.07 to 1.50 decreased the bridging oxygen fraction because of the depolymerization of silicate and aluminate structures. Analyzing the slag structure via FT-IR spectroscopy verified these behaviors.
Key words: blast furnace slag / structure / molecular dynamics simulation / Fourier transform infrared
© EDP Sciences, 2017
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