A chemical kinetic model for chemical vapor deposition of carbon nanotubes

Simulation and modeling of carbon nanotube synthesis: current trends and investigations

“…Ni et al [15] conducted a kinetic study of CNT synthesis over Mo/Co/MgO catalysts. Recently, Raji et al [16] developed a chemical kinetic model to describe the dependency of operating parameters on the deposition condition of growth of CNTs, which yielded results as shown in Figures 2E and 3E. This model, which was followed by a discrete computational analysis also, will be described in some detail later in this paper.…”

“…A phenomenological kinetic model was developed by Latorre et al [12] , which included all relevant steps involved in CNT growth by catalytic CVD, namely, carbon source decomposition, nanoparticle surface understanding of the elementary steps involved in the production of CNTs so as to derive a phenomenological kinetic model. They found that the best models involved [7] , (B) Khedr et al [8] , (C) Wirth et al [11] , (D) Kwok et al [13] , (E) Raji et al [16] , (F) Samandari-Masouleh et al [14] . Reproduced with permission from Elsevier (A, B, D, E) and the American Chemical Society (C, F).…”

“…Kwok et al [13] plotted the time-dependent theoretical results and compared those results with experiments as shown in Figure 2E. Raji et al [16] compared the theoretically predicted yield of CNTs with experimental results in an acetylene-based CVD system, as shown in Figure 11C. The overall estimated root mean square (RMS) deviation between the predication and experimental results was found to be 14.85 % for the complete temperature range of analysis between 700 ° C and 950 ° C.…”

“…This enables prediction of the parametric influences in the process through a quasi-equilibrium approach. The two-stage model involves transient chemical kinetics modeling [16] of the vapor deposition process to predict the transient deposition parameters and the time-dependent yield, and a molecular simulation of the CNT with a quasi-equilibrium assumption at intermittent time steps utilizing the computed parameters to obtain the dimensions of the nanotubes produced. The computational results have been benchmarked with the yield of CNTs obtained from an experimental synthesis, as well as with the average nanotube diameters, obtained …”

“…-All deposition parameters show a decreasing trend with increase of volumetric flow rate Raji et al (2011) [16] then sweeps the carbon atoms from the high temperature zone to the colder copper collector on which they condense into CNTs [76] . CVD techniques [77 -86] achieved considerable attention among the different synthesis methods because the orientation, alignment, length, diameter, purity and density of CNTs can be precisely controlled in this method.…”