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

Published online by Cambridge University Press:  18 May 2017

Guangfeng Hou ,
Vianessa Ng ,
Chenhao Xu ,
Lu Zhang ,
Guangqi Zhang ,
Vesselin Shanov ,
David Mast ,
Wookyun Kim ,
Mark Schulz  and
Yijun Liu
Guangfeng Hou*
Affiliation:
Department of Mechanical and Materials Engineering, University of Cincinnati, OH 45221, United States
Vianessa Ng
Affiliation:
Department of Mechanical and Materials Engineering, University of Cincinnati, OH 45221, United States
Chenhao Xu
Affiliation:
Department of Mechanical and Materials Engineering, University of Cincinnati, OH 45221, United States
Lu Zhang
Affiliation:
Department of Chemical and Biomolecular Engineering, University of California, Los Angeles, CA 90095, United States
Guangqi Zhang
Affiliation:
Department of Mechanical and Materials Engineering, University of Cincinnati, OH 45221, United States
Vesselin Shanov
Affiliation:
Department of Mechanical and Materials Engineering, University of Cincinnati, OH 45221, United States
David Mast
Affiliation:
Department of Physics, University of Cincinnati, OH 45221, United States
Wookyun Kim
Affiliation:
Department of Mechanical and Materials Engineering, University of Cincinnati, OH 45221, United States
Mark Schulz*
Affiliation:
Department of Mechanical and Materials Engineering, University of Cincinnati, OH 45221, United States
Yijun Liu
Affiliation:
Department of Mechanical and Materials Engineering, University of Cincinnati, OH 45221, United States
*
*Corresponding author. Email: [email protected].
† Corresponding author. Email: [email protected].
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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.

Keywords

simulationsecond phaseschemical synthesis
Type
Articles
Information
MRS Advances , Volume 2 , Issue 48: Characterization, Theory and Modeling , 2017 , pp. 2621 - 2626
Copyright
Copyright © Materials Research Society 2017 

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References

REFERENCES

Chen, K. et al. . Printed carbon nanotube electronics and sensor systems. Adv. Mater. 28, 4397–4414 (2016).CrossRefGoogle ScholarPubMed
Song, Y. et al. . Carbon Nanotube Sheet Reinforced Laminated Composites. in ASC 31st Technical Conference, Willamsburg VA (2016).Google Scholar
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).Google Scholar
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).CrossRefGoogle Scholar
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, 109–115 (2016).CrossRefGoogle Scholar
De Volder, M. F. L., Tawfick, S. H., Baughman, R. H. & Hart, a. J. Carbon Nanotubes: Present and Future Commercial Applications. Science (80-. ). 339, 535–539 (2013).CrossRefGoogle ScholarPubMed
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. 33–59.CrossRefGoogle Scholar
Koziol, K. et al. . High-performance carbon nanotube fiber. Science 318, 1892–5 (2007).CrossRefGoogle ScholarPubMed
Hou, G. et al. . Numerical and Experimental Investigation of Carbon Nanotube Sock Formation. MRS Advances, 2(1), 21–26 (2016).CrossRefGoogle Scholar
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, 513–519 (2016).CrossRefGoogle Scholar
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, 2965–2977 (2010).CrossRefGoogle Scholar
Chaffee, J. et al. . Direct Synthesis of CNT Yarns and Sheets. Nsti Nanotech 2008, Vol 3, Tech. Proc. 3, 118–121 (2008).Google Scholar
Zhong, X. H. et al. . Continuous multilayered carbon nanotube yarns. Adv. Mater. 22, 692–696 (2010).CrossRefGoogle ScholarPubMed
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, 2–5 (2012).CrossRefGoogle Scholar
Woods, L. M. et al. . Materials perspective on Casimir and van der Waals interactions. Rev. Mod. Phys. 88, 45003 (2016).CrossRefGoogle Scholar
Laurent, C., Flahaut, E. & Peigney, A. The weight and density of carbon nanotubes versus the number of walls and diameter. Carbon N. Y. 48, 2994–2996 (2010).CrossRefGoogle Scholar
Yamane, Y., Kaneda, Y. & Dio, M. Numerical simulation of semi-dilute suspensions of rodlike particles in shear flow. J. Nonnewton. Fluid Mech. 54, 405–421 (1994).CrossRefGoogle Scholar
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, 431–462 (2010).CrossRefGoogle Scholar
COMSOL. Particle Tracing Module Users Guide. (2015) p.153.Google Scholar
Tanaka, T., Kawaguchi, T. & Tsuji, Y. Discrete Particle Simulation of Flow Patterns in Two-Dimensional Gas Fluidized Beds. Int. J. Mod. Phys. B 7, 1889–1898 (1993).CrossRefGoogle Scholar