Ogawa Tatsuya, Fukumoto Kazui, Machida Hiroshi, Norinaga Koyo
Department of Chemical Systems Engineering, Graduate School of Engineering, Nagoya University, Furo-cho, Chikusa-ku, Nagoya, Aichi, 464-8603, Japan.
Institutes of Innovation for Future Society, Nagoya University, Furo-cho, Chikusa-ku, Nagoya, Aichi, 464-8603, Japan.
Heliyon. 2023 Mar 31;9(4):e15061. doi: 10.1016/j.heliyon.2023.e15061. eCollection 2023 Apr.
In this study, we report on a computational fluid dynamics (CFD) simulation of the chemical vapor deposition reactor of silicon carbide (SiC) in the methyltrichlorosilane (MTS, CHSiCl)/H system. The formation of SiC thin film is controlled by various process parameters, such as temperature and pressure. In this study, we propose a reaction mechanism of MTS decomposition to SiC growth on a substrate surface for CVD reactors in the CHSiCl(MTS)/H system. The reaction mechanism has two gas-phase pyrolysis reactions and one SiC film formation reaction. However, we individually build and validate MTS decomposition and SiC growth models to reduce uncertainty. An in-house version of reactingFoam, a reactive flow solver within OpenFOAM v2006, was used as the simulation tool. Our model accurately reproduced MTS decomposition for = 1100-1350 K and [H]/[MTS] = 2.65-14 at = 101,325 Pa. Then, the MTS decomposition model was coupled with the SiC growth model, and the coupled model was applied to the SiC deposition data. The model could reproduce multiple datasets through validation studies.
在本研究中，我们报告了在甲基三氯硅烷（MTS，CHSiCl）/H体系中碳化硅（SiC）化学气相沉积反应器的计算流体动力学（CFD）模拟。SiC薄膜的形成受多种工艺参数控制，如温度和压力。在本研究中，我们针对CHSiCl（MTS）/H体系中的CVD反应器，提出了一种MTS分解在衬底表面生长SiC的反应机理。该反应机理包括两个气相热解反应和一个SiC薄膜形成反应。然而，为了降低不确定性，我们分别构建并验证了MTS分解模型和SiC生长模型。使用OpenFOAM v2006中的反应流求解器reactingFoam的内部版本作为模拟工具。我们的模型在101325 Pa、温度为1100 - 1350 K且[H]/[MTS] = 2.65 - 14的条件下准确再现了MTS分解过程。然后，将MTS分解模型与SiC生长模型耦合，并将耦合模型应用于SiC沉积数据。通过验证研究，该模型能够再现多个数据集。
