The current state of the art in the application of variable-temperature IR (VTIR) spectroscopy to the study of (i) adsorption sites in zeolites, including dual cation sites; (ii) the structure of adsorption complexes and (iii) gas-solid interaction energy is reviewed. The main focus is placed on the potential use of zeolites for gas separation, purification and transport, but possible extension...

The use of the activated carbon produced from rice hulls to control NOx emissions for future deep space missions has been demonstrated. The optimal carbonization temperature range was found to be between 600 and 750 degrees C. A burnoff of 61.8% was found at 700 degrees C in pyrolysis and 750 degrees C in activation. The BET surface area of the activated carbon from rice hulls was determined to...

Currently there are significant amounts of natural gas that cannot be produced and treated to meet pipeline specifications, because that would not be economically viable. This work investigates a bench scale multistage fluidized bed (MSFB) with shallow beds for sour gas removal from natural gas using a commercially available supported amine sorbent. A MSFB is regarded as a promising adsorber ty...

: Using first-principles calculations, we investigate the adsorption of various gas molecules (H2, O2, H2O, NH3, NO, NO2, and CO) on monolayer MoS2. The most stable adsorption configuration, adsorption energy, and charge transfer are obtained. It is shown that all the molecules are weakly adsorbed on the monolayer MoS2 surface and act as charge acceptors for the monolayer, except NH3 which is f...

The interactions between four different graphenes (including pristine, B- or N-doped and defective graphenes) and small gas molecules (CO, NO, NO(2) and NH(3)) were investigated by using density functional computations to exploit their potential applications as gas sensors. The structural and electronic properties of the graphene-molecule adsorption adducts are strongly dependent on the graphen...

We describe a slit-pore model and a fast density functional theory (a 'slab-DFT') that predict gas adsorption and the isosteric heat in active carbons. The DFT parameters are fitted to reproduce adsorption isotherms of each pure gas in graphitic slit pores generated by Monte-Carlo simulation. A novel feature of this work is that gas surface interactions are calibrated to a high surface area car...

Experimental data of methane adsorption on two types of activated carbon have been carried out at pressures up to 35 bar and at ambient temperature. Adsorption equilibrium and kinetics data at high pressure were measured using a volumetric method. A theoretical model has been presented to calculate the amount of adsorbed gas on adsorbents in a cylindrical tank. In the model, gas enters the bed ...

the physical adsorption of hydrogen sulfide and carbon dioxide gases on the zigzag (5,0) carbon nanotubes doped with nitrogen was investigated through the application of b3lyp/6-31g* at the level of theory on gaussian 03 software. a variety of stable and high abundance structures of nitrogen doped carbon nanotubes were considered in order to study the interaction between the mentioned gases in ...

Water Adsorption on Aggregates of Spherical Aerosol Nano Particles. (August 2005) Chu Nie, B.S., Nanjing University Chair of Advisory Committee: Dr. William H. Marlow A three dimensional integral equation is developed in order to compute water adsorption onto aggregates of spherical aerosol nano particles. The integral equation is derived from molecular density functional theory, with a weighte...

Abstract: In order to find the dynamic characteristics of shale gas reservoirs and improve shale gas well production, it is very important to research on shale gas seepage mechanism and production evaluation. Based on the shale gas seepage mechanism, adsorption and desorption characteristics, the diffusion mechanism and mass conservation theory in shale gas development, the dual pore medium sha...