This paper reveals, by analyses of nitrogen cryo-adsorption isotherm, the energetic and structural heterogeneity of single-walled carbon nanotubes (SWNTs) which has a high hydrogen storage capacity. It was found that SWNTs had manifold pore structures and distributed surface energy. By comparison of the pore structures and energy distributions of SWNTs before and after hydrogen adsorption, it is preliminarily indicated that hydrogen adsorption occurred in micropores and mesopores with smaller diameter, and that the pores of different diameters determined different hydrogen adsorption processes and underwent different structure changes during hydrogen adsorption.
Nanosized inner cavities of carbon nanotubes (CNTs) afford quasi-one-dimensional (1D) confined space, in which materials adsorbed or filled are of reactivity greatly different from the materials adsorbed on a planar surface and quite a number of curious physicochemical processes will possibly occur. In other words, 1D CNT nanochannels may serve as 搉anosized test tubes? In this article, on the basis of the unique chemical and physical properties of CNTs, the latest progresses of the research on peculiar inner-tubular physicochemical processes of CNTs are briefly reviewed from several aspects. The extraordinary 1D adsorption, capillary filling and nanoscale-confined reaction are discussed in detail. Moreover, the characteristics of 搉anosized test tubes?are summarized and many unfamiliar inner cavity chemical processes are expected. Finally, the future direction and challenges on basic researches and potential applications of inner-tubular chemistry of CNTs are discussed.
Grand canonical Monte Carlo molecular simulations were carried out for hydrogen adsorption in single-walled carbon nanotubes. It was found that variations in chemical potential may result in a great change in the hydrogen storage capacity of single-walled carbon nanotubes. Hydrogen adsorption isotherms of single-walled carbon nanotubes at 298.15 K were calculated using a modified chemical potential, and the result obtained is closer to the experimental results. By comparing the experimental and simulation results, it is proposed that chemical adsorption may exist for hydrogen adsorption in single-walled carbon nanotubes.
