Effects of B2O3 on the structure and properties of blast furnace slag by molecular dynamics simulation

2021 ◽  
Vol 551 ◽  
pp. 120412
Author(s):  
Zhisheng Bi ◽  
Kejiang Li ◽  
Chunhe Jiang ◽  
Jianliang Zhang ◽  
Shufang Ma ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Blast Furnace ◽  
Molecular Dynamics Simulation ◽  
Blast Furnace Slag ◽  
Dynamics Simulation ◽  
Structure And Properties ◽  
Furnace Slag

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

2017 ◽  
Vol 115 (1) ◽  
pp. 113
Author(s):  
Qin Yuelin ◽  
Liu Hao ◽  
Yang Yanhua
Keyword(s):  
Molecular Dynamics ◽  
Fourier Transform ◽  
Blast Furnace ◽  
Infrared Spectroscopy ◽  
Molecular Dynamics Simulation ◽  
Blast Furnace Slag ◽  
Mass Fraction ◽  
Dynamics Simulation ◽  
Oxygen Fraction ◽  
Furnace Slag

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.

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