The study was done on how adsorption of carbon monoxide gas on the catalytic surface is affected by doping with boron and phosphorus in metallic nickel powder. The effect of doping was investigated using FTIR spectroscopy and compared to the spectra obtained from adsorption of carbon monoxide on pure nickel catalyst surface. An understanding of the results obtained from the nickel sample was al...

The interaction of CO with the Ru(0001)(131)H surface has been studied by density functional theory ~DFT! periodic calculations and molecular beam techniques. The hydrogen (131) phase induces an activation barrier for CO adsorption with a minimum barrier height of 25 kJ mol. The barrier originates from the initial repulsive interaction between the CO-4s and the Ru-d3z2-r2 orbitals. Coadsorbed H...

Copper cathodes, at sufficiently negative potentials, are selective for hydrocarbon production during the electrochemical reduction of carbon dioxide. Other metals, such as Pt, Fe, Ni and Co, produce low to zero hydrocarbons. We employ density functional theory to examine the coverage of reaction intermediates under CO2 electroreduction conditions. A detailed thermodynamic analysis suggests tha...

Separation of carbon dioxide and methane is an important issue in upgrading low-quality natural gas. Adsorption equilibria and kinetics of CO(2) and CH(4) on a copper metal-organic framework (MOF), Cu(hfipbb)(H(2)hfipbb)(0.5) [H(2)hfipbb=4,4'-(hexafluoroisopropylidene) bis(benzoic acid)], were investigated to evaluate the feasibility of removing CO(2) from CH(4) in a pressure swing adsorption p...

CO adsorption, NO adsorption and CO þ NO reaction on various Pd model catalysts have been studied using vibrational spectroscopy from ultrahigh vacuum (UHV) up to elevated pressures (B1 bar) and the kinetics of the reaction compared with the conventional high surface area Pd/g-Al2O3 catalysts. The structure sensitivity of the CO þ NO reaction on different Pd surfaces is explained using Pd(111),...

Single-molecule trap: Easy activation of the water-stable metal-organic framework PCN-200 provides a new route to low-energy selective CO(2) capture through stimuli-responsive adsorption behavior. This elastic CO(2) trapping effect was confirmed by single-component and binary gas-adsorption isotherms and crystallographic determination.

Using density-functional theory we investigate the interactions and chemical properties of the coadsorption of carbon monoxide and oxygen on ruthenium ~0001!. For the adsorption phases that occur in nature, where CO occupies the top site, we find that with increasing oxygen coverage, the adsorption energy of CO can remain practically unchanged or even exhibit a slight increase. We attribute the...

The CO-CO adsorbate interaction on Si(100)-2×1 has been investigated with ab initio molecular orbital and hybrid density functional theory calculations using cluster models of the surface. Different adsorption combinations for one and two CO molecules on singleand double-dimer cluster models, Si9H12 and Si15H16, respectively, are described. Our calculations indicate that the second CO molecule ...

The present study analyses the potential of acid treated chitosan for simultaneous co-adsorptive removal of phenol and cyanide from a binary waste water solution. The effects of parameters like pH, temperature, initial concentration, adsorbent dose, and adsorbent size were studied. At an optimum pH of 8, temperature of 300C, initial phenol and cyanide concentration of 200 mg/L and 20 mg/L respe...

The interaction of dextrin and guar gum with pyrite has been investigated through adsorption, flotation, and electrokinetic measurements. The adsorption densities of the polysaccharides onto pyrite reveal a region of higher adsorption density in the pH range 7.5-11, with a maximum around pH 10 for both polymers. The isotherms exhibit Langmuirian behavior. The adsorption density of guar gum onto...