Detailed Numerical Simulation of Single-Walled Carbon Nanotube Synthesis in a Radio-Frequency Induction Thermal Plasma System

Abstract

2D axisymmetric numerical calculations are conducted to model the thermo-fluid fields and chemical reactions leading to the formation of SWCNTs in an RF plasma system. A modified version of the SWCNT “reduced” chemical model is used to estimate the formation of SWCNT in an RF plasma system for the first time. The “reduced” model incorporates 14 species and 36 chemical reactions to predict the formation of metal and carbon clusters and SWCNTs. By combing the chemistry model into the RF plasma CFD code, the formation and development of carbon and metal catalyst clusters and their reactions which produce SWCNTs are shown. The chemistry model is shown to under-predict the yield rate of SWCNT. In order to better predict the yield rate, a sensitivity analysis is performed to modify the dominant reaction rates. The modified model predicts the yield of SWCNTs correctly within the range reported experimentally. However, more studies should be conducted to validate the accuracy of the model for different operating conditions.