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首页> 外文期刊>Contributions to Mineralogy and Petrology >Thermochemistry of sulfide liquids / II. Associated solution model for sulfide liquids in the system O-S-Fe
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Thermochemistry of sulfide liquids / II. Associated solution model for sulfide liquids in the system O-S-Fe

机译：硫化物液体的热化学/ II。 O-S-Fe系统中硫化物液体的关联溶液模型

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摘要

We present a new formulation to describe the thermodynamics of liquids in the system O-S-Fe. The model is based on an associated regular solution formulation. According to this model, liquids in the O-S-Fe ternary are made up of an equilibrium solution of the six melt species S, Fe, FeO, FeO_1.5, FeS and FeOS. The model presented here represents oxygen and sulfur fugacities as well as phase equilibria with stoichiometric solid phases better than models from the literature on O-Fe and S-Fe binaries. Furthermore, this model represents a substantial improvement on the model of Kress (1997), which is the only other thermodynamic model available in the ternary system. Asymmetric regular solution parameters are required along the FeO join in order to reproduce experimental data with the chosen list of species. Symmetric regular solution parameters are required along the Fe-S binary. Mixing between any of the species considered and FeOS close to ideal. The associated solution model presented here will serve as a more solid foundation for future models in O-S-Fe-Ni-Cu liquids. Efficient and robust strategies for calculating equilibrium speciation and estimating model parameters are presented.
机译：我们提出了一种新的配方来描述O-S-Fe系统中液体的热力学。该模型基于关联的常规解决方案公式。根据该模型，O-S-Fe三元系中的液体由六种熔融金属S，Fe，FeO，FeO_1.5，FeS和FeOS的平衡溶液组成。与O-Fe和S-Fe二元文献中的模型相比，此处呈现的模型更好地表示了氧和硫的逸度以及具有化学计量固相的相平衡。此外，该模型代表了Kress（1997）模型的实质性改进，后者是三元体系中唯一可用的其他热力学模型。沿着FeO连接处需要非对称规则解参数，以便使用所选物种列表重现实验数据。 Fe-S二进制文件要求对称的正解参数。所考虑的任何物种与FeOS之间的混合接近理想状态。此处介绍的相关解决方案模型将为O-S-Fe-Ni-Cu液体中的未来模型提供更坚实的基础。提出了用于计算平衡形态和估计模型参数的高效鲁棒策略。

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