Thermodynamic Properties of Gas Adsorption in Carbon Nanotube Bundles
Summary
Carbon nanotube bundles exhibit a complex interplay of interstitial and external adsorption sites, where physisorption of gas molecules is governed by a balance of enthalpic and entropic contributions. Bundling alters the local potential energy landscape, intensifying van der Waals interactions and modifying adsorption isotherms compared with isolated tubes. Thermodynamic analysis addresses uptake as a function of pressure and temperature, quantifying the isosteric heat of adsorption, entropy changes and heat capacity contributions arising from adsorbate–substrate and adsorbate–adsorbate interactions. Lattice vibrations within the bundle framework couple to the adsorption process, influencing thermal expansion, bulk modulus and specific heat. Computational approaches—ranging from classical Monte Carlo to density functional theory—complement experimental methods such as volumetric uptake measurements, calorimetry and temperature-programmed desorption, yielding a cohesive picture of how bundling geometry, tube chirality and defect topology determine storage capacity, selectivity and thermodynamic stability. These insights are central to the development of advanced hydrogen storage media, selective gas separation membranes and nanoscale sensing devices with tunable adsorption characteristics.
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Thermodynamic Properties of Gas Adsorption in Carbon Nanotube Bundles publication trend
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Technical terms
Phonon: A quantised lattice vibration mode that contributes to thermal properties of solids.
Grüneisen constant: A dimensionless parameter expressing the coupling between vibrational frequency shifts and volume changes, key to thermal expansion analysis.
Bulk modulus: A measure of a material’s resistance to uniform compression, indicative of mechanical stability under pressure.
Temperature-programmed desorption: An experimental technique that measures the rate of gas release from a surface as temperature is ramped, yielding kinetic and thermodynamic parameters.
Adsorption capacity: The amount of gas mass or moles adsorbed per unit mass of adsorbent under specified conditions.
References
- Implicit phonon shifts and thermodynamical properties of rigid carbon nanotube bunches. AIP Advances (2012).
- Research on permeability of carbon nanotubes. MATEC Web of Conferences (2017).
- H2 adsorption on multiwalled carbon nanotubes at low temperatures and low pressures. Physical Review Accelerators and Beams (2008).
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