Redox-structure dependence of molten iron oxides
Redox-structure dependence of molten iron oxides
复制标题
熔融铁氧化物的氧化还原结构依赖性
作者：
Caijuan Shi;O. Alderman;A. Tamalonis;R. Weber;J. You;C. Benmore
液态铁氧化物的原子结构排列影响与炼钢过程和岩浆流动相关的热物理和热力学性质。在这里，稳定的和过冷的氧化铁熔体的结构已被调查作为氧逸度和温度的函数，使用X射线衍射和气动悬浮与激光加热。总的X射线结构因子和它们相应的对分布函数进行了测量的温度范围从1973 K在稳定的熔体，1573 K在深过冷液体区域，在很宽的范围内的氧分压。经验潜在的结构细化产生的平均Fe-O配位数范围从~4.5到~5的区域FeO到Fe 2 O3，显着低于大多数现有的报告。在富氧熔体中，Fe 3+以FeO 4、FeO 5和FeO 6单元为主。对于亚铁，在还原条件下，FeO 4和FeO 5单元占主导地位，与结晶FeO形成鲜明对比。了解液态氧化铁的原子结构是理解炼钢过程和岩浆流动的关键。在这里，Fe-O原子配位数在悬浮熔融过程中在一定范围的温度和氧分压下确定，揭示低配位数。
The atomic structural arrangements of liquid iron oxides affect the thermophysical and thermodynamic properties associated with the steelmaking process and magma flows. Here, the structures of stable and supercooled iron oxide melts have been investigated as a function of oxygen fugacity and temperature, using x-ray diffraction and aerodynamic levitation with laser heating. Total x-ray structure factors and their corresponding pair distribution functions were measured for temperatures ranging from 1973 K in the stable melt, to 1573 K in the deeply supercooled liquid region, over a wide range of oxygen partial pressures. Empirical potential structure refinement yields average Fe–O coordination numbers ranging from ~4.5 to ~5 over the region FeO to Fe2O3, significantly lower than most existing reports. Ferric iron is dominated by FeO4, FeO5 and FeO6 units in the oxygen rich melt. For ferrous iron under reducing conditions FeO4 and FeO5 units dominate, in stark contrast to crystalline FeO. Knowing the atomic structure of liquid iron oxide is key to understanding steelmaking processes and magma flows. Here, Fe-O atomic coordination numbers are determined during levitation melting at a range of temperatures and oxygen partial pressures, revealing low coordination numbers.
MgSiO3 熔体中 Fe 价态和自旋的影响：第一性原理分子动力学模拟的结构见解
影响因子：
5
作者：
Ghosh, DB and
通讯作者：
Ghosh, DB and