Modeling particle formation during low-pressure silane oxidation: Detailed chemical kinetics and aerosol dynamics
Modeling particle formation during low-pressure silane oxidation: Detailed chemical kinetics and aerosol dynamics
复制标题
模拟低压硅烷氧化过程中的颗粒形成：详细的化学动力学和气溶胶动力学
DOI：
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发表时间：
2001
期刊：
影响因子：
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通讯作者：
S. Girshick
中科院分区：
文献类型：
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作者：
S. Suh;M. Zachariah;S. Girshick
一个详细的化学动力学模型，提出了硅氧化物集群，导致在低压硅烷氧化颗粒成核。将量子Rice-Ramsperger-卡塞尔理论应用于现有的高压硅烷氧化机理，以获得速率参数的压力依赖性的估计。四类集群路径被认为是基于目前的知识的反应动力学和集群的性质在Si-H-O系统。建立了间歇式反应器中通过表面反应和凝聚进行均质成核和颗粒生长的组分守恒方程和矩型气溶胶动力学模型。将化学动力学模型与气溶胶动力学模型耦合，进行了时间相关的零维模拟。在0.8 Torr、773 K和初始氧硅烷比为15的条件下，考察了压力和温度对颗粒形成和生长的影响，并对颗粒形成和生长的主要过程进行了评估。将量子Rice-Ramsperger-卡塞尔理论应用于现有的高压硅烷氧化机理，以获得速率参数的压力依赖性的估计。四类集群路径被认为是基于目前的知识的反应动力学和集群的性质在Si-H-O系统。建立了间歇式反应器中通过表面反应和凝聚进行均质成核和颗粒生长的组分守恒方程和矩型气溶胶动力学模型。将化学动力学模型与气溶胶动力学模型耦合，进行了时间相关的零维模拟。研究了压力和温度的影响，并评估了颗粒形成和生长的主要过程，条件约为0.8托，773 K，和初始氧硅烷比。
A detailed chemical kinetic model is presented for silicon oxide clustering that leads to particle nucleation during low-pressure silane oxidation. Quantum Rice–Ramsperger–Kassel theory was applied to an existing high-pressure silane oxidation mechanism to obtain estimates for the pressure dependence of rate parameters. Four classes of clustering pathways were considered based on current knowledge of reaction kinetics and cluster properties in the Si–H–O system. The species conservation equations and a moment-type aerosol dynamics model were formulated for a batch reactor undergoing homogeneous nucleation and particle growth by surface reactions and coagulation. The chemical kinetics model was coupled to the aerosol dynamics model, and time-dependent zero-dimensional simulations were conducted. The effects of pressure and temperature were examined, and the main contributing processes to particle formation and growth were assessed, for conditions around 0.8 Torr, 773 K, and an initial oxygen-to-silane ratio of 15.A detailed chemical kinetic model is presented for silicon oxide clustering that leads to particle nucleation during low-pressure silane oxidation. Quantum Rice–Ramsperger–Kassel theory was applied to an existing high-pressure silane oxidation mechanism to obtain estimates for the pressure dependence of rate parameters. Four classes of clustering pathways were considered based on current knowledge of reaction kinetics and cluster properties in the Si–H–O system. The species conservation equations and a moment-type aerosol dynamics model were formulated for a batch reactor undergoing homogeneous nucleation and particle growth by surface reactions and coagulation. The chemical kinetics model was coupled to the aerosol dynamics model, and time-dependent zero-dimensional simulations were conducted. The effects of pressure and temperature were examined, and the main contributing processes to particle formation and growth were assessed, for conditions around 0.8 Torr, 773 K, and an initial oxygen-to-silane rati...