Adsorption-induced deformation of a monolithic, synthetic carbon of clearly distinguishable micro- and mesoporosity was analyzed by in situ dilatometry with N2 (77 K), Ar (77 K), CO2 (273 K), and H2O (298 K). A characteristic nonmonotonic shape of the strain isotherm showing contraction of the sample at initial micropore adsorption followed by expansion toward completion of micropore filling wa...

Adsorption of carbon dioxide in slit-shaped carbon micropores at 273 K has been studied by means of the grand canonical Monte Carlo (GCMC) simulations and the nonlocal density functional theory (NLDFT). Three molecular models of CO2 have been used. Long-run GCMC simulations were performed with the three-center model of Harris and Yung (J. Phys. Chem. 1995, 99, 12021). For NLDFT calculations, we...

Neutron powder diffraction measurements were carried out on the evacuated and CO2-loaded Prussian blue analogue, Fe3[Co(CN)6]2, identifying two distinct CO2 adsorption sites: site A, in which CO2 uniquely bridges between two bare-metal sites, and site B, in which it interacts in a face capping motif. The saturation of site A at low loadings of CO2 demonstrates the favourable nature of the inter...

The injection of carbon dioxide (CO2) in deep, unmineable coalbeds is a very attractive option for geologic CO2 storage: the CO2 is stored and at the same time the recovery of coalbed methane (CBM) is enhanced. The revenue of methane (CH4) production can offset the expenditures of the storage operation. Coalbeds form complex gas reservoirs characterized by their dual porosity: they contain both...

Crystalline peptide Ni(ii)-macrocycles (BF4(-) salt) exhibited moderate CO2 gas adsorption (ca. 6-7 CO2 molecules per macrocycle) into very narrow cavities (narrowest part <2 Å), accompanied by the expansion of the cavities. The BF4(-) salt demonstrated selective uptake of CO2 gas in preference to CH4 and N2 gases.

UNLABELLED Indoor surfaces have a sorptive capacity for organic pollutants which may be significantly influenced by other gases and the pH of the surface. In this research, we examine the influence of a common indoor gaseous acid, CO2, and base, NH3, on the adsorption of a volatile organic base, trimethylamine (TMA), to a mineral surface, zirconium silicate beads. Varying ammonia and CO2 within...

We explore the local electronic signatures of molecular adsorption at coordinatively unsaturated binding sites in the metal-organic framework Mg-MOF-74 using X-ray spectroscopy and first-principles calculations. In situ measurements at the Mg K-edge reveal distinct pre-edge absorption features associated with the unique, open coordination of the Mg sites which are suppressed upon adsorption of ...

Removal of carbon dioxide via selective adsorption is a key process to obtain consumer-grade natural gas from biogas and, more generally, CO2 capture and sequestration from gaseous mixtures. The aim of this work is the characterization and classification of a natural alternative to synthetic zeolites that could be used as a carbon dioxide adsorbent. Tuff particulate, easily available as a bypro...

Grand-canonical Monte Carlo simulations and adsorption experiments are conducted to understand the adsorption of CO2 onto bundles of 3D aligned double-walled carbon-nanotubes of diameter 5 nm at 303 K. The simulation of partial adsorption isotherms, i.e., only inner tube volume, only interstices between tubes, and unrestricted, allows a breakdown of the experimental adsorption isotherms into co...