本文選題：硅烷　切入點(diǎn)：多晶硅　出處：《華東理工大學(xué)》2017年碩士論文　論文類型：學(xué)位論文

【摘要】：發(fā)展太陽能光伏產(chǎn)業(yè)是解決化石燃料短缺和環(huán)境污染的有效途徑。作為主要的太陽能轉(zhuǎn)換材料,高純多晶硅制備工藝的完善和發(fā)展是目前亟待解決的關(guān)鍵問題。以硅烷為原料的流化床法,具有能耗低、成本低、污染小的優(yōu)點(diǎn),是太陽能光伏產(chǎn)業(yè)發(fā)展的關(guān)鍵技術(shù)之一。由于硅烷的氣相沉積反應(yīng)機(jī)理復(fù)雜,與流化床內(nèi)的氣-固流動(dòng)相互耦合,使流化床CVD反應(yīng)器的研究開發(fā)和放大設(shè)計(jì)面臨較大困難。本文采用計(jì)算流體力學(xué)的方法(CFD),用群體平衡模型(PBM)耦合硅烷熱解反應(yīng)動(dòng)力學(xué),預(yù)測反應(yīng)器內(nèi)流動(dòng)情況和顆粒生長過程,為流化床CVD反應(yīng)器的開發(fā)提供理論支持。首先,分析了硅烷熱解多晶硅氣相沉積反應(yīng)機(jī)理,比較了現(xiàn)有硅烷熱解反應(yīng)模型。采用Ho等人提出的氣相和表面反應(yīng)機(jī)理,結(jié)合二維邊界層反應(yīng)模型和CHEMKIN軟件,對水平單基片CVD反應(yīng)器進(jìn)行模擬分析,將計(jì)算結(jié)果與文獻(xiàn)報(bào)道的實(shí)驗(yàn)數(shù)據(jù)進(jìn)行比較,發(fā)現(xiàn)一致性良好,從而驗(yàn)證了上述反應(yīng)機(jī)理的模擬精度,表明該機(jī)理可用于硅烷流化床化學(xué)氣相沉積過程的CFD耦合模擬。其次,模擬了小型流化床CVD反應(yīng)器內(nèi)流動(dòng)與反應(yīng)的耦合過程。采用CFD-PBM耦合模型和修正的Ho的反應(yīng)動(dòng)力學(xué)機(jī)理,對文獻(xiàn)報(bào)道的流化床多晶硅生長實(shí)驗(yàn)裝置進(jìn)行模擬計(jì)算,預(yù)測顆粒增長速率。結(jié)果表明:在流化床反應(yīng)條件下,Ho的反應(yīng)動(dòng)力學(xué)模型中硅微粉前軀體的再沉積過程十分顯著;當(dāng)硅烷摩爾分?jǐn)?shù)分別為0.2和0.5時(shí),Ho的反應(yīng)動(dòng)力學(xué)模型計(jì)算出來的顆粒增長速率略高于實(shí)驗(yàn)結(jié)果;當(dāng)硅烷摩爾分?jǐn)?shù)分別為0.57和0.8時(shí),由于硅微粉前軀體濃度很高,部分轉(zhuǎn)化為穩(wěn)定的硅微粉,可供再沉積的量減少。將H2SiSiH2再沉積反應(yīng)速率方程指前因子縮小10倍,模擬得到的增長速率與實(shí)驗(yàn)結(jié)果擬合良好。
[Abstract]:The development of solar photovoltaic industry is an effective way to solve the shortage of fossil fuels and environmental pollution. The improvement and development of high purity polysilicon preparation process is a key problem to be solved. The fluidized bed process using silane as raw material has the advantages of low energy consumption, low cost and low pollution. It is one of the key technologies in the development of solar photovoltaic industry. Because of the complex mechanism of vapor deposition reaction of silane, it is coupled with gas-solid flow in fluidized bed. It is difficult to develop and amplify the fluidized bed CVD reactor. In this paper, the method of computational fluid dynamics (CFD) is used to predict the flow and particle growth process of the reactor by coupling the pyrolysis kinetics of silane with the group equilibrium model. It provides theoretical support for the development of fluidized bed CVD reactor. Firstly, the mechanism of silane pyrolysis polysilicon vapor deposition reaction is analyzed, and the existing models of silane pyrolysis reaction are compared. Combined with the two-dimensional boundary layer reaction model and CHEMKIN software, the horizontal monolithic CVD reactor was simulated and analyzed. The calculated results were compared with the experimental data reported in the literature. Thus, the simulation accuracy of the above reaction mechanism is verified, and it is shown that the mechanism can be used in the CFD coupling simulation of chemical vapor deposition process in silane fluidized bed. Secondly, The coupling process of flow and reaction in a small fluidized bed CVD reactor was simulated. Using the CFD-PBM coupling model and the modified Ho reaction kinetic mechanism, the experimental device for polysilicon growth in fluidized bed was simulated and calculated. The results show that the redeposition process of the body in front of silicon powder is very significant in the kinetic model of Ho reaction in fluidized bed reaction. When the molar fraction of silane is 0.2 and 0.5, the particle growth rate calculated by the reaction kinetics model is slightly higher than that of the experimental results, and when the molar fraction of silane is 0.57 and 0.8, respectively, the concentration of the body in front of silicon powder is very high. The redeposition rate of H _ 2Si _ SiH _ 2 was reduced by 10 times to the pre-exponential factor of H _ 2Si _ SiH _ 2 redeposition reaction rate equation, and the simulated growth rate fitted well with the experimental results.
【學(xué)位授予單位】：華東理工大學(xué)
【學(xué)位級別】：碩士
【學(xué)位授予年份】：2017
【分類號】：TM615

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