Abstract
We report for the first time the chromatographic study of n-alcohols (from methanol to butanol) adsorption on single walled carbon nanohorn (SWCNH). Using measured temperature dependence of adsorption isotherms (373–433 K) the isosteric adsorption enthalpy is calculated and compared with the data reported for a graphite surface. It is concluded that a graphite surface is more homogeneous, and the enthalpy of adsorption on SWCNHs at zero coverage correlates well with molecular diameter and polarizability, suggesting leading role of dispersive interactions, i.e., no heteroatoms presence in the walls of SWCNH structures. Next using modern DFT approach we calculate the energy of n-alcohols interactions with a graphene sheet and with a single nanocone finally proposing a more realistic—double nanocone model. Obtained results suggest alcohols entrapping between SWCNH with OH groups located toward nanocones ends, leading to the conclusions about very promising future applications of SWCNHs in catalytic reactions with participation of n-alcohols.
Highlights
Single Walled Carbon Nanohorn (SWCNH) is widely applied as adsorbent and catalyst.The space available inside tubes forming SWCNH aggregates makes it possible to introduce different host molecules inside and, in this way, allowing the application of SWCNH as nanocontainers
It is well known that due to low potential energy of carbon—hydrogen interactions, carbon adsorbents are inapplicable for efficient hydrogen storage [2]
Cantemperature observe thethe decrease in adsorption with the rise adsorption in temperature, and at aOne given rise in adsorption adsorption with the rise in temperature, and at a given temperature the rise innature adsorption with increasing alcohol chain length
Summary
Single Walled Carbon Nanohorn (SWCNH) is widely applied as adsorbent and catalyst. The space available inside tubes forming SWCNH aggregates makes it possible to introduce different host molecules inside and, in this way, allowing the application of SWCNH as nanocontainers. It was stipulated that SWCNH and other carbon nanoforms may find applications in hydrogen storage. Recent GCMC simulation results show that with increasing number of pentagons and decreasing apex angle, hydrogen storage inside. It is well known that due to low potential energy of carbon—hydrogen interactions, carbon adsorbents are inapplicable for efficient hydrogen storage [2]. Metal doping is necessary to increase the potential energy of adsorbate—
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