Numerical simulation of carbon arc discharge for graphene synthesis without catalyst  

作　　者：Kai YE Da ZHANG Kaiwen ZHANG Haoyu WANG Feng LIANG Wenhui MA Bin YANG Yongnian DAI 叶凯;张达;张楷文;王灏宇;梁风;马文会;杨斌;戴永年(Faculty of Metallurgical and Energy Engineering,Kunming University of Science and Technology,Kunming 650093,People’s Republic of China;State Key Laboratory of Complex Nonferrous Metal Resources Clean Utilization,Kunming University of Science and Technology,Kunming 650093,People’s Republic of China)

机构地区：[1]Faculty of Metallurgical and Energy Engineering,Kunming University of Science and Technology,Kunming 650093,People’s Republic of China [2]State Key Laboratory of Complex Nonferrous Metal Resources Clean Utilization,Kunming University of Science and Technology,Kunming 650093,People’s Republic of China

出　　处：《Plasma Science and Technology》2021年第7期163-171,共9页等离子体科学和技术（英文版）

基　　金：supported by National Natural Science Foundation of China (No. 11765010);the National Key Research and Development Program of China (No. 2019YFC1907900);the Applied Basic Research Programs of Yunnan Provincial Science and Technology Department (No. 202001AW070004);the Freely Exploring Fund for Academicians in Yunnan Province (No. 2018HA006);the Key Laboratory of Resource Chemistry, Ministry of Education (No. KLRCME2001)

摘　　要：In this study, graphene sheets are prepared under a hydrogen atmosphere without a catalyst, and the growth mechanism of graphene by direct current arc discharge is investigated experimentally and numerically. The size and layer numbers of graphene sheets increase with the arc current.Distributions of temperature, velocity, and mass fraction of carbon are obtained through numerical simulations. A high current corresponds to a high saturation temperature, evaporation rate, and mass density of carbon clusters. When the carbon vapor is saturated, the saturation temperatures are 3274.9, 3313.9, and 3363.6 K, and the mass densities are 6.4×1022,8.42×1022, and 1.23×1023 m-3 under currents of 150, 200, and 250 A, respectively. A hydrogen-induced marginal growth model is used to explain the growth mechanism. Under a high current, the condensation coefficient and van der Waals force increase owing to the higher saturation temperature and mass density of carbon clusters, which is consistent with experimental results.

关 键 词：GRAPHENE arc discharge numerical simulation growth mechanism saturation temperature mass density 

分 类 号：TQ127.11[化学工程—无机化工]