Thermodynamic equations are de®eloped for adsorption of multicomponent gas mixtures in microporous adsorbents based on the principles of solution thermodynamics. The con®entional spreading pressure and surface area ®ariables, which describe 2-D films, must be abandoned for adsorption in micropores, in which spreading pressure cannot be measured experimentally or calculated from intermolecular f...

MIL-101(Cr) has drawn much attention due to its high stability compared with other metal-organic frameworks. In this study, three trace flue gas contaminants (H2O, NO, SO2) were each added to a 10 vol% CO2/N2 feed flow and found to have a minimal impact on the adsorption capacity of CO2. In dynamic CO2 regeneration experiments, complete regeneration occurred in 10 min at 328 K for temperature s...

The large amount of nanoscale pores in shale results in the inability to apply Darcy's law. Moreover, the gas adsorption of shale increases the complexity of pore size characterization and thus decreases the accuracy of flow regime estimation. In this study, an apparent permeability model, which describes the adsorptive gas flow behavior in shale by considering the effects of gas adsorption, st...

Gas storage/separation is a typical application of porous materials such as metal organic frameworks (MOFs). The adsorption/separation behavior results from the host-guest and/or guest-guest interaction and equilibration (host, porous material; guest, adsorbates). Although the driving forces for gas adsorption have been investigated, a detailed picture of interactions between gas molecules and ...

In designing amine-incorporated adsorbents for CO2/CH4 separation, it is essential to understand the individual effects amine moieties have on separation of mixtures. this work, primary, secondary, and tertiary amines are moderately grafted SBA-15 examine factors affecting adsorption CO2 CH4. Materials were characterised by thermogravimetric elemental analysis, their performance was measured vo...

Methane adsorption in model mesoporous silica materials with the size range characteristic of shale is studied by small-angle neutron scattering (SANS). Size effect on the temperature-dependent gas adsorption at methane pressure about 100 kPa is investigated by SANS using MCM-41 and SBA-15 as adsorbents. Above the gas-liquid condensation temperature, the thickness of the adsorption layer is fou...

Gas separation efficiencies of three zeolite membranes (Faujasite, MFI, and Chabazite) have been examined using the method of molecular dynamics. Our investigation has allowed us to study the effects of pore size and structure, state conditions, and compositions on the permeation of two binary gas mixtures, O(2)N(2) and CO(2)N(2). We have found that for the mixture components with similar sizes...

Unpublished AIChE shall not be responsible for statements or opinions contained in papers or printed in its publications. Abstract This paper describes a novel calorimeter applicable for the simultaneous measurement of adsorption isotherms and the corresponding heats of adsorption. The calorimeter is based on a new metrological principle as a gas surrounding the adsorption vessel containing the...

In this work, a new synthesized Y-type zeolite with an Si/Al molar ratio of 2.5 (NaY) was modified with amines, in order to probe the influence of the modification of the adsorbent’s surface on CO2 adsorption. The three selected amines were diethanolamine, tetraethylenepentamine, and 2- methylaminoethanol. The surface nature of NaY was changed after amine modification, which causes a...

In this research, the interaction of pyrimidine molecule with pristine B12N12 nanocluster is studied in different phases to understand the effect of environment on the electronic properties of the designated adsorption complexes. To this end, the pyrimidine adsorption over B12N12 in the gas phase and water medium is investigated using density functional theory (DFT) at the B97D/6-31+G(d,p) leve...