CaC12 can be sprayed onto sinter surface, which can improve the low temperature reduction degradation index （RDI＋3.15） of sinter. This has been recognized; however, there are various opinions on the inhibition mech...CaC12 can be sprayed onto sinter surface, which can improve the low temperature reduction degradation index （RDI＋3.15） of sinter. This has been recognized; however, there are various opinions on the inhibition mechanism of it. At the same time, the corrosion of C1 element on equipment is very serious. First-principle calculations based on density functional theory were performed to investigate the binding mechanisms of calcium species on a a-Fe2 03 （0 0 1） surface. This is crucial in demonstrating the role of the CaC12 on improving the low temperature reduction degrada tion index. It has been determined that C1 could greatly increase the adsorption of the vacuum layer for the Ca/Fe2 03 system and the relaxation produced by adsorption made bond length decrease, bond energies increase and structure compact. Those are the main reasons that inhibiting the reduction disintegration of sinter.展开更多
基金Item Sponsored by National Natural Science Foundation of China(51174074)Open Fund Project of National Key Laboratory in University of Science and Technology Beijing of China(KF13-02)
文摘CaC12 can be sprayed onto sinter surface, which can improve the low temperature reduction degradation index （RDI＋3.15） of sinter. This has been recognized; however, there are various opinions on the inhibition mechanism of it. At the same time, the corrosion of C1 element on equipment is very serious. First-principle calculations based on density functional theory were performed to investigate the binding mechanisms of calcium species on a a-Fe2 03 （0 0 1） surface. This is crucial in demonstrating the role of the CaC12 on improving the low temperature reduction degrada tion index. It has been determined that C1 could greatly increase the adsorption of the vacuum layer for the Ca/Fe2 03 system and the relaxation produced by adsorption made bond length decrease, bond energies increase and structure compact. Those are the main reasons that inhibiting the reduction disintegration of sinter.
