Thermodynamic modeling of silicon carbide formation during the Acheson process in non-stoichiometric mixtures

В. Б. Щербакова, П. С. Гринчук, Valentina B. Shcherbakova, Pavel S. Grinchuk
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Abstract

A brief review and critical evaluation of the literature related to the mechanism of carbothermic reduction of silicon oxide is presented. To resolve the contradictions in the literature data about the number of chemical reactions and key intermediate substances during the Acheson process, thermodynamic modeling of products of carbothermic reduction of silicon (IV) oxide at 1 bar total pressure was carried out. It was determined that CO2 and Si were absent among the intermediates at temperatures close to the silicon carbide formation temperature (from 1520 to ~2500 °С). Out of several dozen possible reactions, the two dominant reactions that result in the formation of silicon carbide in the Acheson process were identified. The effect of reagents temperature from 1000 to 3000 °С, bulk and local deviation from stoichiometry of the initial mixture on the composition of the reaction products was discovered. Obtained new data explains some empirical observations and greatly simplifies the physicochemical modeling of the Acheson process.
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在非均相混合物中的艾奇逊制备过程中碳化硅形成的热力学模型
本文对有关氧化硅碳热还原机理的文献进行了简要回顾和严格评估。为了解决有关艾奇逊过程中化学反应数量和关键中间物质的文献数据之间的矛盾,我们对 1 巴总压下氧化硅(IV)的碳热还原产物进行了热力学建模。结果表明,在接近碳化硅形成温度(从 1520 °С 到 ~2500 °С)时,中间产物中不存在二氧化碳和硅。在几十个可能的反应中,确定了在艾奇逊过程中形成碳化硅的两个主要反应。发现试剂温度从 1000 °С 到 3000 °С、初始混合物的体积和局部偏离化学计量学对反应产物组成的影响。获得的新数据解释了一些经验观察,并大大简化了艾奇逊过程的物理化学模型。
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