Kinetic Modeling of a Silicon Refining Process in a Moist Hydrogen Atmosphere
Kinetic Modeling of a Silicon Refining Process in a Moist Hydrogen Atmosphere
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DOI：
10.1007/s11663-018-1241-8
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发表时间：
2018-06-01
影响因子：
3
通讯作者：
Morita, Kazuki
中科院分区：
文献类型：
--
作者：
Chen, Zhiyuan;Morita, Kazuki
我们开发了一个动力学模型，考虑了在冶金级硅精炼过程中的硅损失和硼去除。该模型基于可逆反应的假设。反应速率系数保持不变，但在描述不可逆反应时，会引入末端硼浓度的误差。来自已发表研究的实验数据被用来建立一个适合现有数据的模型。在1500摄氏度时，我们的动力学分析表明，在潮湿的氢气气氛中精炼硅会产生几种主要的挥发性物质，包括SiO， SiH， HBO和HBO2。利用实验数据和挥发分的动力学分析，建立了反应速率系数k与p（H2O）的二次函数和p（H-2）的平方根之间的线性关系模型。此外，该模型预测了主要挥发种的分压值，并通过热力学计算验证了预测结果，表明了模型的可靠性。我们相信该模型为设计快速脱硼和低硅损失率的硅精炼工艺提供了基础。(C) The Minerals, Metals & Materials Society and ASM International 2018
We developed a kinetic model that considers both silicon loss and boron removal in a metallurgical grade silicon refining process. This model was based on the hypotheses of reversible reactions. The reaction rate coefficient kept the same form but error of terminal boron concentration could be introduced when relating irreversible reactions. Experimental data from published studies were used to develop a model that fit the existing data. At 1500 degrees C, our kinetic analysis suggested that refining silicon in a moist hydrogen atmosphere generates several primary volatile species, including SiO, SiH, HBO, and HBO2. Using the experimental data and the kinetic analysis of volatile species, we developed a model that predicts a linear relationship between the reaction rate coefficient k and both the quadratic function of p(H2O) and the square root of p(H-2). Moreover, the model predicted the partial pressure values for the predominant volatile species and the prediction was confirmed by the thermodynamic calculations, indicating the reliability of the model. We believe this model provides a foundation for designing a silicon refining process with a fast boron removal rate and low silicon loss. (C) The Minerals, Metals & Materials Society and ASM International 2018