adsorption of co molecule on the vanadium surface has been studied by using of the dft method with lanl2dz,6-31g* and 6-31g** basis sets by gga approximation of theory. using periodic first principles simulations we investigate the interaction of oxygen molecule with regular v (100) surface. the limitation of this approach is the use of thin metallic slabs with a limited range for their coverag...

Bundle morphology and adsorptive contributions from nanotubes and impurities are studied both experimentally and by simulation using a computer-aided methodology, which employs a small physisorbed probe molecule to explore the porosity of nanotube samples. Grand canonical Monte Carlo simulation of nitrogen adsorption on localized sites of a bundle is carried out to predict adsorption in its acc...

we study copper corrosion inhibition by ethanolamine (eta)with (0, 0.2 ,0.3,0.4,0.5) vol.% concentrations in 100 ppm nacl solution. this work is carried out by potentiodynamic measurements and electrochemical impedance spectroscopy (eis). the substrates' surface morphologies are examined by scanning electron microscopy (sem). etais characterized by nmr spectra of eta1h and 13c and fourier ...

The adsorption of selenite on goethite (a-FeOOH) has been analyzed with the charge distribution (CD) and the multi-site surface complexation (MUSIC) model being combined with an extended Stern (ES) layer model option. The geometry of a set of different types of hydrated iron-selenite complexes has been calculated using Molecular Orbital / Density Functional Theory (MO/DFT). The optimized geomet...

Surface modification of polyethersulfone (PES) membrane surfaces using UV lozone pretreatment with sub­ sequent grafting and interfacial polymerization on membrane surface was investigated in order to improve the resistance of membrane surface to protein adsorption. The surface modifications were evaluated in terms of hydrophilicity, chemical composition of the surface and static protein adsorp...

A complete characterization of the different physico-chemical properties of nanoparticles (NPs) is necessary for the evaluation of their impact on health and environment. Among these properties, the surface characterization of the nanomaterial is the least developed and in many cases limited to the measurement of surface composition and zetapotential. The biological surface adsorption index app...

Lipid-protein complexes reconstituted from pig surfactant lipids and proteins were investigated for surface adsorption, minimum surface tension, stability index, and surface compressibility. Lipid constituents remained unchanged with procedures for the reconstitution. An apoprotein with a nominal molecular weight of 15,000 daltons significantly accelerated the lipid-protein complex to absorb th...

Ultrathin gold nanofilms (≈ 50 nm) are suitable for detection of adsorbed molecules at solidliquid interface of various sizes due to their surface plasmon resonance (SPR) properties. This SPR technique makes it possible to study the surface adsorption in nanomol range amount on gold surfaces of a maximum of one mm and to determine the adsorbed amount as a function of equilibrium concentration. ...

We report on the adsorption of sodium dodecyl sulfate (SDS) onto functionalized graphene sheets (FGSs) in an aqueous system, measured at broad SDS and FGS concentration ranges by conductometric surfactant titration. At dilute SDS concentrations (<12 μM in bulk solution), there is evidence of a counterion exchange between hydronium ions (from the dissociation of acidic chemical functionalities o...

The adsorption of proteins onto carbon-based nanomaterials (CBNs) is dictated by hydrophobic and π-π interactions between aliphatic and aromatic residues and the conjugated CBN surface. Accordingly, protein adsorption is highly sensitive to topological constraints imposed by CBN surface structure; in particular, adsorption capacity is thought to increase as the incident surface curvature decrea...