AVS 47th International Symposium
    Nanotubes - Science and Applications Tuesday Sessions
       Session NM+NS-TuM

Paper NM+NS-TuM8
Modeling of HiPco Process for Carbon Nanotube Production

Tuesday, October 3, 2000, 10:40 am, Room 309

Session: Carbon Nanotubes: Synthesis
Presenter: T. Gokcen, Eloret Corporation, NASA Ames Research Center
Authors: T. Gokcen, Eloret Corporation, NASA Ames Research Center
C.E. Dateo, Eloret Corporation, NASA Ames Research Center
M. Meyyappan, NASA Ames Research Center
D.T. Colbert, CNST, Rice University
K.A. Smith, CNST, Rice University
R.E. Smalley, CNST, Rice University
Correspondent: Click to Email
High-pressure carbon monoxide (HiPco) reactor, developed at Rice University, is used to produce single-walled carbon nanotubes (SWNT) from gas-phase reactions of iron carbonyl and nickel carbonyl in carbon monoxide at high pressures (10 - 100 atm). Comput ational modeling is used to better understand the HiPco process. In the present model, decomposition of the precursor, metal cluster formation and growth, and carbon nanotube growth are addressed. Decomposition of precursor molecules is necessary to init i ate metal cluster formation. The metal clusters serve as catalysts for carbon nanotube growth. Diameter of metal clusters and number of atoms in these clusters are some of the essential information for predicting carbon nanotube formation and growth, which is then modeled by Boudouard reaction (2CO ---> C(s) + CO2) with metal catalysts. The growth kinetic model is integrated with a two-dimensional axisymmetric reactor flow model to predict reactor performance.