Structure evolution of blast furnace slag with high Al2O3 Content and 5 mass% TiO2 via molecular dynamics simulation and fourier transform infrared spectroscopy

被引：8

作者：

Qin Yuelin ^{[1
]}

Liu Hao ^{[1
]}

Yang Yanhua ^{[1
]}

机构：

[1] Chongqing Univ Sci & Technol, Sch Met Mat Engn, Chongqing 401331, Peoples R China

来源：

METALLURGICAL RESEARCH & TECHNOLOGY | 2018年 / 115卷 / 01期

基金：

中国国家自然科学基金;

关键词：

blast furnace slag; structure; molecular dynamics simulation; Fourier transform infrared; SILICATE-BASED SLAGS; VISCOSITY; SYSTEM; MGO;

D O I：

10.1051/metal/2017090

中图分类号：

TF [冶金工业];

学科分类号：

0806 ;

摘要：

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.

引用

页数：6