| Citation: |
YAO Mingcan, LI Tianyu, HU Jin, FU Fangzhong, LIN Jiahao, FAN Helin, WANG Ruixiang, XU Zhifeng. Structure and transport properties of FeO-SiO2 melt[J]. Nonferrous Metals Science and Engineering, 2025, 16(1): 17-24. DOI: 10.13264/j.cnki.ysjskx.2025.01.003
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In view of the loss of copper in the process of copper smelting, molecular dynamics simulations were used to study the structure and transport properties of the FeO-SiO2 system. The results show that when FeO mass fraction increases from 50% to 85%, the bond length of Si-O remains unchanged at 1.60 Å, and the bond length of Fe-O decreases from 2.08 Å to 2.07 Å. The O-Si-O bond angle remains unchanged at 108.00°, while the Si-O-Si bond angle decreases from 144.98° to 140.00°. The proportion of free oxygen increases from 1.74% to 42.64%, and the proportion of bridge oxygen decreases from 42.60% to 1.84%. The degree of polymerization of the structure decreases with the increase in FeO content, and the NBO/T decreases from 2.42 to 0.25. The viscosity decreases from 0.74 Pa·s to 0.02 Pa·s. The [SiO4]4- tetrahedra are the main structural units of the FeO-SiO2 system, and the [SiO4]4- tetrahedra are connected by a common vertex angle.
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