1 For virtually any physical adsorption process, the capacity of an adsorbent decreases as the temperature of the system increases. As the temperature increases the adsorbed molecules acquire sufficient energy to overcome the van der Waals’ attraction, holding them in the condensed-phase and migrating back to the gas-phase. Adsorption is an exothermic process. At low concentrations the heat rel...

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...

A combination of adsorption, microcalorimetry, infra-red spectroscopy and modeling has been implemented to reveal the potential of the H2S resistant amino-functionalized Ti MOF MIL-125 porous solid for the concomitant elimination of CO2 and H2S from biogas and natural gas.

The Dubinin-Radushkevitch (D-R) equation, which was originally proposed as an empirical adaptation ~d'the Polanyi adsorption potential theory, has been the fundamental equation to quantitatively describe the adsorption td gases and vapors by microporous sorbents. The equation, based on the postulate that the mechanism for adsorption in micropores is that of pore-filling rather than layer-by-lay...

In this research, the interactions of HCN gas with pristine, Ga-, N- and GaN-doped of boron phosphide nanotube (BPNTs) were investigated by using density function theory (DFT). The structure, electrical and NQR parameters, quantum descriptors involving energy gap, global hardness, global softness, electrophilicity, electronic chemical potential and electronegativity were calculated. The adsorpt...

In this research. CO gas molthules were approached to single-wall carbon nanotube (SWNT) and (6,0) CNTsurface from carbon side and oxygen side in three states (top, bridge, centre) and two shapes ( erlica I.horizontal), then adsorption energies were calculated by B3TYP/6-310 B3LYPI3-216" and Hge3-210"methods after that they were compared m order to obtain the most stable adsorption state. OFT a...

dft calculations were used to investigate adsorptionof  f-, cl-, li+ and na+ ions on the exterior surface of mg12o12 nanocage in the gas phase and water media. the most favorite position for adsorption of the studied anions and cations are atop of mg and o atoms of mg12o12, respectively. the strongest interaction is obtained when fluoride is located atop of mg atom with the adsorption energy of...

Isotherm equation is one of the important scientific bases for adsorbent selection. There are different isotherms that do not account for an adsorbate, different chemisorption geometries on the nanoporous surface. It is interesting to introduce a general isotherm, which considers different chemisorption geometries of an adsorbate on nanoporous surfaces. In this study, an isotherm for non-dissoci...

This review presents a general overview of physical, chemical and biological waste-gas treatment techniques such as adsorption, absorption, oxidation and biodegradation, focusing more extensively on combined processes. It is widely recognized that biological waste-gas treatment devices such as biofilters and biotrickling filters can show high performance, often reaching removal efficiencies abo...

As a new branch of MOFs which are composed of biocompatible metal ions and organic ligands, bio-metal-organic frameworks (bio-MOFs) have attracted much attention recently. Bio-MOFs feature multiple Lewis basic sites which have strong interaction with CO2 molecules, thus they have great potential in the separation and purification of gas mixtures containing CO2. In this work, molecular simulatio...