Skip to main content
×
Home

Multiscale Modeling of Carbon Nanotube Bundle Agglomeration inside a Gas Phase Pyrolysis Reactor

  • Guangfeng Hou (a1), Vianessa Ng (a1), Chenhao Xu (a1), Lu Zhang (a2), Guangqi Zhang (a1), Vesselin Shanov (a1), David Mast (a3), Wookyun Kim (a1), Mark Schulz (a1) and Yijun Liu (a1)...
Abstract
ABSTRACT

Carbon nanotube (CNT) sock formation is required for the continuous synthesis of CNT thread or sheet using the gas phase pyrolysis method. Nanometer diameter CNTs form and are carried along the reactor tube by gas flow. During the flow, the CNT stick to each other and form bundles of about 10-100 nm diameter. Coupling of the CNT bundles in the flow leads to the formation of a centimeter diameter CNT sock with a wall that is hundreds of nanometers thick. Understanding the multiscale phenomena of sock formation is vital for optimizing the CNT synthesis and manufacturing process. In this work, we present a multiscale model for the CNT bundle agglomeration inside a horizontal gas phase pyrolysis reactor. The interaction between CNT bundles was analyzed by representing the attraction forces between CNTs using a discrete phase modeling method. Flow in the synthesis reactor was studied using a computational fluid dynamics (CFD) technique with multiphase flow analysis. A model was proposed to represent the coupling between CNT bundles and the gas flow. The effect of different CNT bundles on the agglomeration phenomenon was analyzed. The modeling results were also compared with experimental observations.

Copyright
Corresponding author
*Corresponding author. Email: hougg@mail.uc.edu.
Corresponding author. Email: Mark.J.Schulz@uc.edu.
References
Hide All
1. Chen K. et al. . Printed carbon nanotube electronics and sensor systems. Adv. Mater. 28, 43974414 (2016).
2. Song Y. et al. . Carbon Nanotube Sheet Reinforced Laminated Composites. in ASC 31st Technical Conference, Willamsburg VA (2016).
3. Chauhan D. et al. . Multifunctional smart composites with integrated carbon nanotube yarn and sheet. in (eds. Leo D. J. & Tarazaga P. A.) 10172, 1017205 (2017).
4. Hou G., Zhang L., Ng V., Wu Z. & Schulz M. Review of Recent Advances in Carbon Nanotube Biosensors Based on Field-Effect Transistors. Nano Life 6, 1642006 (2016).
5. Yehezkel S., Auinat M., Sezin N., Starosvetsky D. & Ein-Eli Y. Bundled and densified carbon nanotubes (CNT) fabrics as flexible ultra-light weight Li-ion battery anode current collectors. J. Power Sources 312, 109115 (2016).
6. De Volder M. F. L., Tawfick S. H., Baughman R. H. & Hart a. J. Carbon Nanotubes: Present and Future Commercial Applications. Science (80-. ). 339, 535539 (2013).
7. Schulz M. J. et al. . New Applications and Techniques for Nanotube Superfiber Development. Nanotub. Superfiber Mater. Chang. Eng. Des, 1st ed. (William Andrew Publishing, Boston, 2014) p. 3359.
8. Koziol K. et al. . High-performance carbon nanotube fiber. Science 318, 1892–5 (2007).
9. Hou G. et al. . Numerical and Experimental Investigation of Carbon Nanotube Sock Formation. MRS Advances, 2(1), 2126 (2016).
10. Hou G. et al. . The effect of a convection vortex on sock formation in the floating catalyst method for carbon nanotube synthesis. Carbon N. Y. 102, 513519 (2016).
11. Conroy D., Moisala A., Cardoso S., Windle A. & Davidson J. Carbon nanotube reactor: Ferrocene decomposition, iron particle growth, nanotube aggregation and scale- up. Chem. Eng. Sci. 65, 29652977 (2010).
12. Chaffee J. et al. . Direct Synthesis of CNT Yarns and Sheets. Nsti Nanotech 2008, Vol 3, Tech. Proc. 3, 118121 (2008).
13. Zhong X. H. et al. . Continuous multilayered carbon nanotube yarns. Adv. Mater. 22, 692696 (2010).
14. Phan A. D., Woods L. M., Drosdoff D., Bondarev I. V. & Viet N. A. Temperature dependent graphene suspension due to thermal Casimir interaction. Appl. Phys. Lett. 101, 25 (2012).
15. Woods L. M. et al. . Materials perspective on Casimir and van der Waals interactions. Rev. Mod. Phys. 88, 45003 (2016).
16. Laurent C., Flahaut E. & Peigney A. The weight and density of carbon nanotubes versus the number of walls and diameter. Carbon N. Y. 48, 29942996 (2010).
17. Yamane Y., Kaneda Y. & Dio M. Numerical simulation of semi-dilute suspensions of rodlike particles in shear flow. J. Nonnewton. Fluid Mech. 54, 405421 (1994).
18. Krochak P. J., Olson J. a. & Martinez D. M. Near-wall estimates of the concentration and orientation distribution of a semi-dilute rigid fibre suspension in Poiseuille flow. J. Fluid Mech. 653, 431462 (2010).
19. COMSOL. Particle Tracing Module Users Guide. (2015) p.153.
20. Tanaka T., Kawaguchi T. & Tsuji Y. Discrete Particle Simulation of Flow Patterns in Two-Dimensional Gas Fluidized Beds. Int. J. Mod. Phys. B 7, 18891898 (1993).
Recommend this journal

Email your librarian or administrator to recommend adding this journal to your organisation's collection.

MRS Advances
  • ISSN: -
  • EISSN: 2059-8521
  • URL: /core/journals/mrs-advances
Please enter your name
Please enter a valid email address
Who would you like to send this to? *
×

Keywords:

Metrics

Full text views

Total number of HTML views: 0
Total number of PDF views: 33 *
Loading metrics...

Abstract views

Total abstract views: 179 *
Loading metrics...

* Views captured on Cambridge Core between 18th May 2017 - 22nd November 2017. This data will be updated every 24 hours.