西门子法三氯氢硅氢还原Si-CVD本征动力学模型

发布时间：2018-06-22 13:41

本文选题：反应工程 + 多晶硅　；参考：《中国有色金属学报》2017年01期

【摘要】：联系生产实际对西门子法三氯氢硅氢还原反应体系的反应做了归类分析,选用可靠适用的热力学基础数据,设计合理计算方案,计算分析16个反应在反应温度区及附近温度区的吉布斯自由能和标准平衡常数数值,利用反应耦合理论提供了将SiHCl_3(g)+H_2(g)=Si(s)+3HCl(g)作为主反应的热力学依据,确认该主反应与关键组分SiHCl_3(g)的两个热分解生成有Si(s)和SiCl_4(g)的反应构成的平行反应为生成Si-CVD的主要反应。在此基础上,应用L-H均匀表面吸附理论,借助非均相气-固相催化反应模型方法,导出该还原Si-CVD过程的本征速率方程(-r_(As)=k_(sc1)c_A+k_(sc2)c_A~2+k_(sc3)c_A~4),进而线性化变换为等价的拟一级不可逆反应动力学模型-R_(As)=k_(sc,dj)c_(A,dj)(简写为-R_(As)=k_(sc)c_A),便于动力学参数测定和后续建立宏观动力学模型。
[Abstract]:In connection with the production practice, the reaction of the reduction reaction system of trichlorosilyl hydrogen by Siemens method is classified and analyzed, the reliable and applicable thermodynamic basic data are selected, and a reasonable calculation scheme is designed. The Gibbs free energy and standard equilibrium constant of 16 reactions in and around the reaction temperature region are calculated and analyzed. The thermodynamic basis for taking SiHCl3 (g) H2 (g) / Si (s) 3HCl (g) as the main reaction is provided by the reaction coupling theory. It is confirmed that the parallel reaction between the main reaction and the two thermal decomposition reactions of the key component SiHCl3 (g) to form Si (s) and SiCl4 (g) is the main reaction to the formation of Si-CVD. On this basis, L-H homogeneous surface adsorption theory and heterogeneous gas-solid phase catalytic reaction model method are applied. The eigenrate equation of the reduced Si-CVD process (-r _ (As) _ sc1 _ (sc1) c_A~2 _ (sc3) c_A~4) is derived, and then linearized into an equivalent pseudo-first-order irreversible reaction kinetic model R- _ (As) _ (SCANDJ) _ (C _ (ANADJ), which is convenient for the determination of kinetic parameters and the subsequent establishment of a macroscopic dynamic model.
【作者单位】：银川能源学院;
【基金】：宁夏自然科学基金资助项目(NZ15284) 宁夏高等学校优势特色专业项目基金(2012384)~~
【分类号】：TQ127.2

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