Ab initio quantum chemical calculations have been performed to study the adsorption of trichlorophosphate, dimethyl methylphosphonate, and Sarin via hydrogen bonding to Si-OH groups on the amorphous SiO2 (a-SiO2) surface. Two SiO2 models are used: a small Si5O7H8 “cagelike” cluster and a larger Si21O56H28 structure designed to approximate the local environment in a-SiO2. In the latter case, reg...

to day, the activated carbon is being used to treat the industrial and domestic wastewaters. the suitability of activated carbon for treatment of industrial wastewaters can be quickly predicted by consideration of wastewater characteristics. the results of this paper represent a first step in determining suitability of activated carbon for treatment of wastewaters or effluent of treatment plant...

Reactive mineral-water interfaces exert control on the bioavailability of contaminant arsenic species in natural aqueous systems. However, the ability to accurately predict As surface complexation is limited by the lack of molecular-level understanding of As-water-mineral interactions. In the present study, we report the structures and properties of the adsorption complexes of arsenous acid (As...

Reflection absorption infrared spectroscopy (RAIRS) and temperature programmed desorption (TPD) have been used to investigate the adsorption of methanol (CH(3)OH) on the highly oriented pyrolytic graphite (HOPG) surface. RAIRS shows that CH(3)OH is physisorbed at all exposures and that crystalline CH(3)OH can be formed, provided that the surface temperature and coverage are high enough. It is n...

The influence of crystallite size on the adsorption reactivity of phosphate on 2-line to 6-line ferrihydrites was investigated by combining adsorption experiments, structure and surface analysis, and spectroscopic analysis. X-ray diffraction (XRD) and transmission electron microscopy (TEM) showed that the ferrihydrite samples possessed a similar fundamental structure with a crystallite size var...

of past research 1) The individual and competitive adsorption of metal ions on graphene oxides (GOs) studies by experimental and DFT calculation The heavy metal ions can be accumulated in living tissues, so they must be removed from polluted water. Graphene oxides (GOs) are considered as the ideal adsorbent material because the large quantities of oxygen-containing functional groups strengthen ...

The adsorption and reaction in supercritical CO2 of the titanate coupling reagent NDZ-201 on the surfaces of seven metal oxide particles, SiO2, Al2O3, ZrO2, TiO2 (anatase), TiO2 (rutile), Fe2O3, and Fe3O4, was investigated. FTIR and TG analysis indicated that the adsorption and reaction were different on different particle surfaces. On SiO2 and Al2O3 particles, there was a chemical reaction of ...

Hydrothermally-synthesized titanate nanotubes (TNTs) are found to be excellent at adsorption of highly toxic thallium ions. Uptake of both thallium ions is very fast in the first 10 min. The adsorption isotherm of Tl(I) follows the Langmuir model with maximum adsorption capacity of 709.2 mg g(-1). Ion-exchange between Tl(+) and Na(+) in the interlayers of TNTs is the primary mechanism for Tl(I)...

Electrochemical techniques, coupled with in situ scanning tunneling microscopy, have been used to examine the mechanism of CO oxidation and the role of surface structure in promoting CO oxidation on well-ordered and disordered Pt(111) in aqueous NaOH solutions. Oxidation of CO occurs in two distinct potential regions: the prepeak (0.25-0.70 V) and the main peak (0.70 V and higher). The mechanis...

Fourier transform infrared absorption spectroscopy has been used to study the adsorption of methanol on the clean Ru(0001) surface at T<or=80 K. Thereby, clear evidence for intact adsorption has been found. This observation contradicts previous studies which suggested an OH (OD) bond scission upon adsorption of methanol on Ru(0001), even at low temperatures, as well as partial recombinative des...