Simulation of gas flow field in reactor for preparation of carbon nanotube fibers by chemical vapor deposition

doi:10.19398/j.att.202104032

Abstract

Abstract:

In order to investigate the gas flow field in the vertical vapor deposition reactor for preparing carbon nanotube fibers, the fluid dynamics software Gambit and Fluent were used to model and simulate the gas flow field in the vertical vapor deposition reactor numerically. The distributions of gas velocity, temperature and concentration inside the reactor were obtained through simulation. The results show that gas velocity reaches a peak of 1.79 m/s when it is ejected from the inlet pipe. In the process of heating, the velocity gradually stabilizes at 0.02 m/s. The temperature gradually approaches the temperature of reactor wall at 1500K. The carbon source methane gas presents a Poiseuille distribution during the heating of reactor. During the heating of vertical vapor deposition reactor, the gas flow field presents low-speed and steady high temperature, which is a favorable environment and major area for the synthesis of carbon nanotubes and formation of carbon nanotube fibers.

Key words: carbon nanotube fiber, chemical vapor deposition, gas flow field, numerical simulation

摘要：

为了探讨制备碳纳米管纤维的直立式气相沉积反应器气体流场,选用计算流体力学软件Gambit和Fluent分别对直立式气相沉积反应器气体流场进行建模和数值模拟,模拟得到反应器内部气体速度、温度和浓度分布。结果表明:气体从进气管口射出时速度达到峰值1.79 m/s;在加热段时速度逐渐趋向于稳定,为0.02 m/s,温度逐渐趋向于反应器管壁温度(1500K);碳源甲烷气体在反应器加热段呈现泊肃叶分布。直立式气相沉积反应器加热段气体流场呈现低速平缓高温,是适宜碳纳米管合成和碳纳米管纤维形成的有利环境和主要区域。

关键词: 碳纳米管纤维, 化学气相沉积, 气体流场, 数值模拟

CLC Number:

TS101.2

ZHOU Zihao, WU Lili, CHEN Ting. Simulation of gas flow field in reactor for preparation of carbon nanotube fibers by chemical vapor deposition[J]. Advanced Textile Technology, 2022, 30(2): 99-105.

周梓豪, 吴丽莉, 陈廷. 气相沉积法制备碳纳米管纤维反应器气体流场模拟[J]. 现代纺织技术, 2022, 30(2): 99-105.

Figures/Tables 12

Fig.1 Structureof vertical reactor

Tab.1 Material property parameters

性能	材料
性能	氢气	甲烷	铜	石英	碳纳米管颗粒
密度ρ/(kg·m^-3)	0.0819	0.6679	8978	2650	1700
比热容C_p/(J·kg^-1·K^-1)	14283	2222	381	730	1220
导热系数K/(W·m^-1·K^-1)	0.1672	0.0332	388	15	3000
动力黏度μ/(kg·m^-1·s^-1)	8.411×10^-6	1.087×10^-5	-	-	-

Fig.2 Velocity distribution of gas flow field

Fig.3 Velocity distribution curve on the central axis of gas flow field

Fig.4 Temperature distribution of gas flow field

Fig.5 Temperature distribution curve on the central axis of gas flow field

Fig.6 Molar concentration distribution of methane

Fig.7 Mole fraction distribution of methane

Fig.8 Molar concentration distribution of hydrogen

Fig.9 Mole fraction distribution of hydrogen

Fig.10 Vector distribution of reflux velocity in reactor gas flow field

Fig.11 Streamline diagram of gas flow in reactor obtained by Conroy[15]

References 15

[1]	IIJIMA S. Helical microtubules of graphitic carbon[J]. Nature, 1991, 354(6348):56-58. DOI URL
[2]	何欣雨. 碳纳米管纤维制备方法及应用概述[J]. 中国纤检, 2020(8):120-124.
	HE Xinyu. Review of carbon nanotube fibers[J]. China Fiber Inspection, 2020(8):120-124.
[3]	陆赞. 基于纤维的超级电容器电极材料的制备与性能研究[D]. 上海:东华大学, 2018.
	LU Zan. Research on Preparation and Properties of Fiber-based Electrodes for Supercapacitor[D]. Shanghai: Donghua University, 2018.
[4]	BEHABTU N, YOUNG C C, TSENTALOVICH D E, et al. Strong, light, multifunctional fibers of carbon nanotubes with ultrahigh conductivity[J]. Science, 2013, 339(6116):182-186. DOI URL
[5]	YU C, GONG Y, CHEN R, et al. A solid-state fibriform supercapacitor boosted by host-guest hybridization between the carbon nanotube scaffold and MXene nanosheets[J]. Small, 2018, 14(29):1801203. DOI URL
[6]	ZHANG X, LI Q, TU Y, et al. Strong carbon-nanotube fibers spun from long carbon-nanotube arrays[J]. Small, 2007, 3(2):244-248. DOI URL
[7]	SHANG Y, WANG Y, LI S, et al. High-strength carbon nanotube fibers by twist-induced self-strengthening[J]. Carbon, 2017, 119:47-55. DOI URL
[8]	TRAN T Q, FAN Z, LIU P, et al. Super-strong and highly conductive carbon nanotube ribbons from post-treatment methods[J]. Carbon, 2016, 99:407-415. DOI URL
[9]	徐子超, 吴丽莉, 陈廷. 直接气相沉积法制备碳纳米管纤维的研究进展[J]. 纺织导报, 2019(6):67-71.
	XU Zichao, WU Lili, CHEN Ting. Research progress of direct-spinning based fabrication of carbon nanotube fibers[J]. China Textile Leader, 2019(6):67-71.
[10]	SUN G, ZHOU J, YU F, et al. Electrochemical capacitive properties of CNT fibers spun from vertically aligned CNT arrays[J]. Journal of Solid State Electrochemistry, 2012, 16(5):1775-1780. DOI URL
[11]	殷腾, 蒋炳炎, 苏哲安, 等. 载气对化学气相沉积中气体流场、反应物与热解炭沉积率影响的仿真研究[J]. 新型炭材料, 2018, 33(4):357-363.
	YIN Teng, JIANG Bingyan, SU Zhe'an, et al. Numerical simulation of carrier gas effects on flow field, species concentration and deposition rate in the chemical vapor deposition of carbon[J]. New Carbon Materials, 2018, 33(4):357-363.
[12]	余风利. 碳纳米管化学气相沉积炉的优化设计与仿真[D]. 南昌:南昌大学, 2015.
	YU Fengli. The Optimization Design and Simulation of Carbon Nanotubes CVD Furnace[D]. Nanchang: Nanchang University, 2015.
[13]	刘光启. 化学化工物性数据手册[M]. 北京: 化学工业出版社, 2002.
	LIU Guangqi. Physical Property Data Manual of Organic Chemical Industry[M]. Beijing: Chemical Industry Press, 2002.
[14]	韩帅帅. 连续碳纳米管纤维及其复合材料的制备与电化学性能研究[D]. 天津:天津大学, 2017.
	HAN Shuaishuai. Fabrication of Continuous Carbon Nanotube Fibers and Composites for Electrochemical Properties[D]. Tianjin: Tianjin University, 2017.
[15]	CONROY D, MOISALA A, CAEDOSO S, et al. Carbon nanotube reactor: Ferrocene decomposition, iron particle growth, nanotube aggregation and scale-up[J]. Chemical Engineering Science, 2010, 65(10):2965-2977. DOI URL