Calphad ( IF 1.9 ) Pub Date : 2021-01-05 , DOI: 10.1016/j.calphad.2020.102244 Wan-Yi Kim , Pierre Hudon , In-Ho Jung
In the present study, the viscosity experimental data for the FetO-containing silicate melts under oxidation atmosphere, which Fe3+ and Fe2+ co-exist were critically evaluated and model parameters related to Fe2O3 were optimized to best reproduce all reliable experimental viscosity data. The charge compensation effect on the viscosity for the systems containing Fe2O3 was modeled with the Gibbs energies for LiFe, NaFe, KFe and CaFe2 “associate species” formation. The viscosities of a wide compositional and temperature range of binary, ternary and multicomponent melts containing Fe2O3–FeO–SiO2–Al2O3–CaO–MgO–Li2O–Na2O–K2O–MnO–Ti2O3–TiO2 were well reproduced by the present model within the scatter of experimental data.
中文翻译:
模拟含Fe氧化物的硅酸盐熔体的粘度:含FeO / Fe 2 O 3的体系
在本研究中,严格评估了Fe 3+和Fe 2+共存的含Fe t O的硅酸盐熔体的粘度实验数据,并优化了与Fe 2 O 3有关的模型参数以最佳再现所有可靠的实验粘度数据。用吉布斯能量模拟了含Fe 2 O 3的体系中电荷补偿作用对LiFe,NaFe,KFe和CaFe 2 “缔合物种”形成的影响。含Fe 2 O 3的二元,三元和多组分熔体的粘度和温度范围很广在分散的实验数据范围内,本模型很好地再现了–FeO–SiO 2 –Al 2 O 3 –CaO–MgO–Li 2 O–Na 2 O–K 2 O–MnO–Ti 2 O 3 –TiO 2。