The gas-sensing properties of Pt-decorated carbon nanotubes (CNTs), which provide a foundation for the fabrication of sensors, have been evaluated. In this study, we calculated the gas adsorption of Pt-decorated (8,0) single-wall CNTs (Pt-SWCNTs) with SO2, H2S, and CO using GGA/PW91 method based on density functional theory. The adsorption energies and the changes in geometric and electronic st...

CO adsorption on Cu(111) and Cu(001) surfaces has been studied within ab-initio density functional theory (DFT). The structural, vibrational and thermodynamic properties of the adsorbate-substrate complex have been calculated. Calculations within the generalized gradient approximation (GGA) predict adsorption in the threefold hollow on Cu(111) and in the bridge-site on Cu(001), instead of on-to...

Transitional metal oxide nanoparticles as advanced environment and energy materials require very well absorption performance to apply in practice. Although most metal oxides are based on crystalline, high activities can also be achieved with amorphous phases. Here, we reported the adsorption behavior and mechanism of methyl blue (MB) on the amorphous transitional metal oxide (Fe, Co and Ni oxid...

In this work, poly(N-isopropyl acrylamide-co-acrylamide) [P(NIPAAm-co-AAm)] nanogels were modified by hydrolysis above the lower critical solution temperature (LCST) to localize carboxylic acid functional groups at the surface (surface hydrolysis). PNIPAAm copolymerized with 15% and 20% nominal AAm in the feed were prepared and compared to equivalent hydrogels with acrylic acid. The effect and ...

This paper presents mass spectrometry measurements of the saturated adsorption of CO in the presence of coadsorbedH2O on gas phase gold cluster cations, Aun, n = 3–20, stored in a quadrupole ion trap. Initial mass spectra obtained at 150K for specific cluster ion sizes as a function of CO pressure and reaction time, indicate increased CO saturation levels correlated with the coadsorption of bac...

CO adsorption on the Pt~111! surface is studied using first-principles methods. As found in a recent study @Feibelman et al., J. Phys. Chem. B 105, 4018 ~2001!#, we find the preferred adsorption site within density functional theory to be the hollow site, whereas experimentally it is found that the top site is preferred. The influence of pseudopotential and exchange-correlation functional error...

Integrated gasification combined cycle with CO 2 capture and sequestration (IGCC-CCS) emerges as one of the most promising technologies for reducing CO 2 emission from coal power plant without reducing thermal efficiency significantly. However the high capital cost of these plants has limited their deployment. The current solvent-based low-temperature CO 2 capture process (Selexol process) is e...

Polyelectrolyte-coated nanoparticles or microparticles interact with bioactive molecules (peptides, proteins or nucleic acids) and have been proposed as delivery systems for these molecules. However, the mechanism of adsorption of polyelectrolyte onto particles remains unsolved. In this study, cationic poly(lactide-co-glycolide) (PLGA) nanoparticles were fabricated by adsorption of various conc...

: a new fibrous adsorbent was prepared by grafting acrylic acid /acryl amide (aa/aam) co-monomers onto poly(ethylene terephtalat) (pet) fibers. the resulting sorbent has been characterized by fourier transform infrared spectroscopy (ft-ir), thermo gravimetric analysis (tga), scanning electron microscopy (sem) and elemental analysis and studied for the preconcentration and determination of trace...

The ligand functionalization effect on the CO(2)/CH(4) separation performance of the MOF type UiO-66(Zr) was explored computationally. The -SO(3)H and -CO(2)H functionalized forms show the highest selectivity, good working capacity and medium ranged CO(2) adsorption enthalpy that make these materials very promising for physisorption-based processes.