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Record Details

Record 24 of 14539
Effects of carbonyl bond, metal cluster dissociation, and evaporation rates on predictions of nanotube production in high-pressure carbon monoxide
External Online Source: doi:10.1166/jnn.2003.165
Author and Affiliation:
Scott, Carl D.(NASA Johnson Space Center, Houston TX United States)
Smalley, Richard E.
Abstract: The high-pressure carbon monoxide (HiPco) process for producing single-wall carbon nanotubes (SWNTs) uses iron pentacarbonyl as the source of iron for catalyzing the Boudouard reaction. Attempts using nickel tetracarbonyl led to no production of SWNTs. This paper discusses simulations at a constant condition of 1300 K and 30 atm in which the chemical rate equations are solved for different reaction schemes. A lumped cluster model is developed to limit the number of species in the models, yet it includes fairly large clusters. Reaction rate coefficients in these schemes are based on bond energies of iron and nickel species and on estimates of chemical rates for formation of SWNTs. SWNT growth is measured by the conformation of CO2. It is shown that the production of CO2 is significantly greater for FeCO because of its lower bond energy as compared with that of NiCO. It is also shown that the dissociation and evaporation rates of atoms from small metal clusters have a significant effect on CO2 production. A high rate of evaporation leads to a smaller number of metal clusters available to catalyze the Boudouard reaction. This suggests that if CO reacts with metal clusters and removes atoms from them by forming MeCO, this has the effect of enhancing the evaporation rate and reducing SWNT production. The study also investigates some other reactions in the model that have a less dramatic influence.
Publication Date: Feb 01, 2003
Document ID:
20040097442
(Acquired Sep 14, 2004)
Subject Category: LIFE SCIENCES (GENERAL)
Document Type: Journal Article
Publication Information: Journal of nanoscience and nanotechnology; p. 75-9; (ISSN 1533-4880); Volume 3; 1-2
Publisher Information: United States
Description: In English
Distribution Limits: Unclassified; Publicly available; Unlimited
Rights: Copyright
NASA Terms: CARBON MONOXIDE; CARBON NANOTUBES; CARBONYL COMPOUNDS; CRYSTALLIZATION; DISSOCIATION; EVAPORATION RATE; HIGH PRESSURE; IRON; JOINTS (JUNCTIONS); METAL CLUSTERS; MODELS; NANOSTRUCTURE GROWTH; NICKEL; CARBON; CARBON DIOXIDE; CLASSIFICATIONS; COMPUTERIZED SIMULATION; METALS; NANOTECHNOLOGY; VAPORIZING
Other Descriptors: CARBON MONOXIDE/CHEMISTRY; CRYSTALLIZATION/METHODS; IRON/CHEMISTRY; MODELS, CHEMICAL; NANOTUBES, CARBON/CHEMISTRY/CLASSIFICATION/ISOLATION & PURIFICATION; NICKEL/CHEMISTRY; CARBON/CHEMISTRY; CARBON DIOXIDE/CHEMISTRY; COMPUTER SIMULATION; METALS/CHEMISTRY; MODELS, MOLECULAR; NANOTECHNOLOGY/METHODS; PRESSURE; VOLATILIZATION
Availability Source: Other Sources
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