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A chemical kinetic model for chemical vapor deposition of carbon nanotubes

机译：碳纳米管化学气相沉积的化学动力学模型

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摘要

Carbon nanotubes (CNTs) are classified among the most promising novel materials due to their exceptional physical properties. Still, optimal fabrication of carbon nanotubes involves a number of challenges. Whatever be the fabrication method, a process optimization can be evolved only on the basis of a good theoretical model to predict the parametric influences on the final product. The work reported here investigates the dependence of the deposition parameters on the controllable parameters for carbon nanotube growth during Chemical vapor deposition (CVD), through a chemical kinetic model. The theoretical model consisted of the design equations and the energy balance equations, based on the reaction kinetics, for the plug flow and the batch reactor, which simulate the CVD system. The numerical simulation code was developed in-house in a g++ environment. The results predicted the growth conditions for CNT: the deposition temperature, pressure and number of atoms, which were found to be influenced substantially by the initial controllable parameters namely the temperature, volumetric flow rate of the carbon precursor, and the reaction time. An experimental study was also conducted on a CVD system developed in the laboratory, to benchmark the computational results. The experimental results were found to agree well with the theoretical predictions obtained from the model.
机译：碳纳米管（CNT）由于其卓越的物理性能而被归类为最有前途的新型材料。尽管如此，碳纳米管的最佳制造仍涉及许多挑战。无论采用哪种制造方法，都只能在良好的理论模型的基础上进行工艺优化，以预测对最终产品的参数影响。本文报道的工作通过化学动力学模型研究了沉积参数对化学气相沉积（CVD）过程中碳纳米管生长的可控制参数的依赖性。该理论模型由基于反应动力学的活塞流和间歇反应器的设计方程和能量平衡方程组成，模拟了CVD系统。数值模拟代码是在g ++环境中内部开发的。结果预测了CNT的生长条件：沉积温度，压力和原子数，这些条件基本上受初始可控参数的影响，即温度，碳前驱体的体积流量和反应时间。还对实验室开发的CVD系统进行了实验研究，以对计算结果进行基准测试。发现实验结果与从模型获得的理论预测吻合良好。

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  • 来源
    《Applied Surface Science》 |2011年第24期|p.10562-10570|共9页
  • 作者

    K. Raji; Shijo Thomas; C.B. Sobhan;

  • 作者单位

    Nanotechnology Research Laboratory, School ofNano Science and Technology, National Institute of Technology, Calicut, 673 601 India;

    Nanotechnology Research Laboratory, School ofNano Science and Technology, National Institute of Technology, Calicut, 673 601 India;

    Nanotechnology Research Laboratory, School ofNano Science and Technology, National Institute of Technology, Calicut, 673 601 India;

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  • 正文语种 eng
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  • 关键词

    carbon nanotubes chemical vapor deposition chemical kinetic model;

    机译：碳纳米管化学气相沉积化学动力学模型;

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