The energy profile, which is the energy of the adsorbed phase as a function of loading, is essential for characterizing the equilibrium behavior of adsorbents. The energy of the adsorbed phase is measured directly by calorimetry or indirectly by differentiating adsorption isotherms at constant loading. The adsorption isotherm and energy profile are sufficient for the determination of thermodyna...

Grand canonical simulations are used to calculate adsorption isotherms of various classical gases on alkali metal and Mg surfaces. Ab initio adsorption potentials and Lennard-Jones gas-gas interactions are used. Depending on the system, the resulting behavior can be nonwetting for all temperatures studied, complete wetting, or (in the intermediate case) exhibit a wetting transition. An unusual ...

In this study, the sorption behavior of two important fission product radionuclides ((137)Cs and (140)Ba) onto sodium form of insolubilized humic acid (INaA) were investigated as a function of time, cation concentration and temperature, utilizing the radiotracer method. The sorption processes are well described by both Freundlich and Dubinin-Radushkevich type isotherms. Thermodynamic constants ...

In this study, mesoporous MCM-41 has been modified by incorporation of aluminum ion asa rapid, simple and inexpensive method for modification. The adsorbent is characterized usingpowder X-ray diffraction and nitrogen adsorption-desorption isotherm data. The distributioncoefficient of cadmium ion on the mesoporous aluminosilicates has been enhanced with theincrease of the aluminum in the framewo...

The responsive behavior of methanethiol and methylthiolate molecules on the Au(111) surface with an applied electrical potential is studied, and it is shown how the sulfur adsorption site, the S-H bond orientation and the interacting energy change with an external electric field strength. The electron charge density corresponding to an electric field minus that obtained in zero field, with zero...

An adsorption-desorption (or parking-lot) model can reproduce qualitatively the densification kinetics and other features of a weakly vibrated granular material. Here we study the the two-time correlation and response functions of the model and demonstrate that their behavior is consistent with recently observed memory effects in granular materials. Although the densification kinetics and hyste...

Capture of carbon dioxide from fossil fuel power plants via adsorption and sequestration of carbon dioxide in unmineable coal seams are achievable near-term methods of reducing atmospheric emissions of this greenhouse gas. To investigate the influence of surface heterogeneity upon predicted adsorption behavior in activated carbons and coal, isotherms were generated via grand canonical Monte Car...

We use Brownian dynamics simulations to study the adsorption behavior of a nanosized particle on polymer brushes. The adsorption process, the dynamic behavior of the nanoparticle in brush, the penetration depth, and the di usion coe cient of the nanoparticle in di erent depths of the brush are all investigated for di erent grafting densities. We provide an area density Γ , which is the area ave...

The adsorption of CO on the supported gold nanoparticle catalysts Au/TiO2, Au/Fe2O3, and Au/ZrO2 was examined using infrared transmission spectroscopy to quantify the isobaric CO coverage as a function of temperature. The Temkin adsorbate interaction model was then applied to account for the adsorption behavior. To test the general applicability of the Temkin model, this treatment was also appl...

The adsorption equilibrium and kinetics of polyethylene glycol (PEG) in three aqueous systems were examined in this study. Langmuir isotherm was used to satisfactorily predict the adsorption capacity of PEG on activated carbon F-400 and applied to the investigation of adsorption kinetics. The surface diffusion, pore diffusion, and branched pore kinetics models successfully described the adsorpt...