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Query: KEGG:D01931 (TiO2)
 11,320 document(s) hit in 31,850,051 MEDLINE articles (0.00 seconds)

Despite the success of adsorption and thermal incineration of (C)VOC emissions, there is still a need for research on techniques which are both economically more favorable and actually destroy the pollutants rather than merely remove them for recycling elsewhere in the biosphere. The catalytic destruction of (C)VOC to CO2, H2O and HCl/Cl2 appears very promising in this context and is the subject of the present paper. The experiments mainly investigate the catalytic combustion of eight target compounds, all of which are commonly encountered in (C)VOC emissions and/or act as precursors for the formation of PCDD/F. Available literature on the different catalysts active in the oxidation of (C)VOC is reviewed and the transition metal oxide complex V2O5-WO3/TiO2 appears most suitable for the current application. Different reactor geometries (e.g. fixed pellet beds, honeycombs, etc.) are also described. In this research a novel catalyst type is introduced, consisting of a V2O5-WO3/TiO2 coated metal fiber fleece. The conversion of (C)VOC by thermo-catalytic reactions is governed by both reaction kinetics and reaction equilibrium. Full conversion of all investigated VOC to CO2, Cl2, HCl and H2O is thermodynamically feasible within the range of experimental conditions used in this work (260-340 degrees C, feed concentrations 30-60 ppm). A first-order rate equation is proposed for the (C)VOC oxidation reactions. The apparent rate constant is a combination of reaction kinetics and mass transfer effects. The oxidation efficiencies were measured with various (C)VOC in the temperature range of 260-340 degrees C. Literature data for oxidation reactions in fixed beds and honeycomb reactors are included in the assessment. Mass transfer resistances are calculated and are generally negligible for fleece reactors and fixed pellet beds, but can be of importance for honeycomb monoliths. The experimental investigations demonstrate: (i) that the conversion of the hydrocarbons is independent of the oxygen concentration, corresponding to a zero-order dependency of the reaction rate; (ii) that the conversion of the hydrocarbons is a first-order reaction in the (C)VOC; (iii) that the oxidation of the (C)VOC proceeds to a higher extent with increasing temperature, with multiple chlorine substitution enhancing the reactivity; (iv) that the reaction rate constant follows an Arrhenius dependency. The reaction rate constant kr (s(-1)) and the activation energy E (kJ/mol) are determined from the experimental results. The activation energy is related to the characteristics of the (C)VOC under scrutiny and correlated in terms of the molecular weight. The kr-values are system-dependent and hence limited in design application to the specific VOC-catalyst combination being studied. To achieve system-independency, kr-values are transformed into an alternative kinetic constant K (m3/(m2u)) expressed per unit of catalyst surface and thus independent of the amount of catalyst present in the reactor. Largely different experimental data can be fitted in terms of this approach. Results are thereafter used to define the Arrhenius pre-exponential factor A*, itself expressed in terms of the activation entropy. Destruction efficiencies for any given reactor set-up can be predicted from E- and A*-correlations. The excellent comparison of predicted and measured destruction efficiencies for a group of chlorinated aromatics stresses the validity of the design approach. Since laboratory-scale experiments using PCDD/F are impossible, pilot and full-scale tests of PCDD/F oxidation undertaken in Flemish MSWIs and obtained from literature are reported. From the data it is clear that: (i) destruction efficiencies are normally excellent; (ii) the efficiencies increase with increasing operating temperature; (iii) the higher degree of chlorination does not markedly affect the destruction efficiency. Finally, all experimental findings are used in design recommendations for the catalytic oxidation of (C)VOC and PCDD/F. Predicted values of the a)VOC and PCDD/F. Predicted values of the acceptable space velocity correspond with the cited industrial values, thus stressing the validity of the design strategy and equations developed in the present paper.
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PMID:Catalytic combustion of volatile organic compounds. 1517 52

Density functional theory calculations are performed for the adsorption of O2, coadsorption of CO, and the CO+O2 reaction at the interfacial perimeter of nanoparticles supported by rutile TiO2(110). Both stoichiometric and reduced TiO2 surfaces are considered, with various relative arrangements of the supported Au particles with respect to the substrate vacancies. Rather stable binding configurations are found for the O2 adsorbed either at the trough Ti atoms or leaning against the Au particles. The presence of a supported Au particle strongly stabilizes the adsorption of O2. A sizable electronic charge transfer from the Au to the O2 is found together with a concomitant electronic polarization of the support meaning that the substrate is mediating the charge transfer. The O2 attains two different charge states, with either one or two surplus electrons depending on the precise O2 adsorption site at or in front of the Au particle. From the least charged state, the O2 can react with CO adsorbed at the edge sites of the Au particles leading to the formation of CO2 with very low (approximately 0.15 eV) energy barriers.
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PMID:Adsorption of O2 and oxidation of CO at Au nanoparticles supported by TiO2(110). 1526 78

The reactivities of the stoichiometric and partially reduced rutile TiO2(110) surfaces towards oxygen adsorption and carbon monoxide oxidation have been studied by means of periodic density functional theory calculations within the Car-Parrinello approach. O2 adsorption as well as CO oxidation are found to take place only in the presence of surface oxygen vacancies (partially reduced surface). The oxidation of CO by molecularly adsorbed O2 at the O-vacancy site is found to have an activation energy of about 0.4 eV. When the adsorbed O2 is dissociated, the resulting adatoms can oxidize incoming gas-phase CO molecules with no barrier. In all studied cases, once CO is oxidized to form CO2, the resulting surface is defect-free and no catalytic cycle can be established.
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PMID:First principles study of CO oxidation on TiO2(110): the role of surface oxygen vacancies. 1526 19

We first report discovery of the spinel-garnet-orthopyroxene granulite with pure CO2 fluid inclusions from the Fuyun region of the late Paleozoic Altay orogenic belt in Central Asia, NW China. The rock is characterized by an assemblage of garnet, orthopyroxene, spinel, cordierite, biotite, plagioclase and quartz. Symplectites of orthopyroxene and spinel, and orthopyroxene and cordierite indicate decompression under UHT conditions. Mineral chemistry shows that the orthopyroxenes have high XMg and Al2O3 contents (up to 9.23 wt%). Biotites are enriched in TiO2 and XMg and are stable under granulite facies conditions. The garnet and quartz from the rock carry monophase fluid inclusions which show peak melting temperatures of around -56.7 degrees C, indicating a pure CO2 species being presented during the ultrahigh-T metamorphism in the Altay orogenic belt. The inclusions homogenize into a liquid phase at temperatures around 15.3-23.8 degrees C translating into CO2 densities of the order of 0.86-0.88 g/cm3. Based on preliminary mineral paragenesis, reaction textures and petrogenetic grid considerations, we infer that the rock was subjected to UHT conditions. The CO2-rich fluids were trapped during exhumation along a clockwise P-T path following isothermal decompression under UHT conditions.
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PMID:Discovery of ultrahigh-T spinel-garnet granulite with pure CO2 fluid inclusions from the Altay orogenic belt, NW China. 1536 87

We have used activated carbon (AC) prepared from almond shells as a support for tungsten oxide to develop a series of WOx/AC catalysts for the catalytic combustion of toluene. We conducted the reaction between 300 and 350 degrees C, using a flow of 500 ppm of toluene in air and space velocity (GHSV) in the range 4000-7000 h(-1). Results show that AC used as a support is an appropriate material for removing toluene from dilute streams. By decreasing the GHSV and increasing the reaction temperature AC becomes a specific catalyst for the total toluene oxidation (SCO2 = 100%), but in less favorable conditions CO appears as reaction product and toluene-derivative compounds are retained inside the pores. WOx/AC catalysts are more selective to CO2 than AC due to the strong acidity of this oxide; this behavior improves with increased metal loading and reaction temperature and contact time. The catalytic performance depends on the nonstoichiometric tungsten oxide obtained during the pretreatment. In comparison with other supports the WOx/AC catalysts present, at low reaction temperatures, higher activity and selectivity than WO, supported on SiO2, TiO2, Al2O3, or Y zeolite. This is due to the hydrophobic character of the AC surface which prevents the adsorption of water produced from toluene combustion thus avoiding the deactivation of the active centers. However, the use of WOx/AC system is always restricted by its gasification temperature (around 400 degrees C), which limits the ability to increase the conversion values by increasing reaction temperatures.
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PMID:Activated carbon and tungsten oxide supported on activated carbon catalysts for toluene catalytic combustion. 1546 Nov 77

In this study we present results of an investigation into the reactivity of molecularly chemisorbed oxygen species on a Au/TiO2 model catalyst. We have previously shown that a Au/TiO2 model catalyst sample can be populated with both atomically and molecularly chemisorbed oxygen species following exposure to a radio frequency-generated oxygen plasma-jet. To test the reactivity of the molecularly chemisorbed oxygen species, we compare the CO2 produced from a sample that is populated with both oxygen species to the CO2 produced from a sample that has been given an identical exposure but has been cleared of molecularly chemisorbed oxygen employing collision-induced desorption. We observe that samples that are populated with both oxygen species consistently result in greater CO2 production. For the data presented in this paper, we observe a difference of 41% in the CO2 production. We interpret this result to indicate that molecularly chemisorbed oxygen can react directly with CO to form CO2.
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PMID:Reaction of CO with molecularly chemisorbed oxygen on TiO2-supported gold nanoclusters. 1549 88

The direct and sensitized photodegradations of imidacloprid, 1-(6-chloro-3-pyridinylmethyl)-N-nitro-2-imidazolidinimine, were investigated in aqueous solution and with and without various photo-sensitizers. Results of the study revealed that the intensity of lamp-house and irradiation wavelength had significant effects on the photolysis of imidacloprid. Complete degradation of 20 mg/L imidacloprid in aqueous phase was observed in 40 min under ultraviolet( UV) irradiation system, suggesting the ultraviolet ray played significant role in direct photolysis of imidacloprid. The additions of various photo-sensitizers lead to improve the degradation efficiency of imidacloprid under the irradiation of black light fluorescent lamp. TiO2 was the most efficient in the photo-catalytic degradation of imidacloprid among other photo-sensitizers in used this study. However, addition of acetone inhibited the photolysis of imidacloprid under the irradiation of UV, indicating the occurrence of competition between acetone and imidacloprid for photos. Mineralization of the imidacloprid was examined to clarify the final photochemical degradation products of the insecticide which were CO2, Cl- and NO3-. Complete photo-oxidation of nitrogen to NO3- occurred very slowly via the intermediate formation of NH4+ and NO2-.
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PMID:Photochemistry of insecticide imidacloprid: direct and sensitized photolysis in aqueous medium. 1549 51

The mobile nature of active oxygen species generated on the UV-illuminated TiO2 surface is now well-recognized. Surface oxidants not only migrate two-dimensionally but also desorb from the surface to be air-borne oxidants. The remote photocatalytic oxidation (PCO) of stearic acids over the surface-fluorinated TiO2 (F-TiO2) film was carried out in the ambient air to study the effects of fluorination on the desorption of oxidants from the surface. The F-TiO2 film was faced to a stearic acid-coated glass plate separated by a small gap (typically 30 microm), and the photocatalytic degradation of the stearic acid was monitored by Fourier transform infrared measurement or gas-chromatographic CO2 production analysis. Remote photocatalytic degradation of stearic acids was markedly faster with F-TiO2 than with the pure TiO2 film, which indicates that the generation of air-borne oxidants is enhanced over the F-TiO2 surface. The remote PCO activity was higher with a higher surface fluoride concentration, higher UV intensity, and smaller gap. The remote photocatalytic activity of F-TiO2 was maximal at a relative humidity of 50% and did not show any sign of deactivation with repeated reactions. The production of CO2 that evolved as a result of the remote PCO of stearic acids was enhanced when H2O2 vapor was present but was strongly inhibited in the presence of ammonia gas that should scavenge OH radicals. Judging from various evidences, the air-borne oxidants in remote PCO are most likely OH radicals and the surface fluorination of TiO2 seems to facilitate the desorption of OH radicals.
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PMID:Enhanced remote photocatalytic oxidation on surface-fluorinated TiO2. 1559 79

When surface-reactive (bioactive) coatings are applied to medical implants by means of CO2 laser processing, the bioactivity of the surface of the implant can be locally modified to match the properties of the surrounding tissues to provide a firm fixation of the implant. The aim of this study was to compare the heat treated TiO2 coatings with the laser-treated TiO2 coatings in terms of amorphous-crystalline-phase development. The coatings were characterized with thin-film X-ray diffraction (TF-XRD), atomic force microscopy (AFM) and scanning electron microscopy (SEM). The TiO2 coatings heat treated at 500 degrees C known to be bioactive in SBF (simulated body fluid) consisted mainly of anatase with some rutile-phase, suggesting a predominant effect of anatase on reactivity of coatings. However, the coatings preheat-treated at 500 degrees C with further laser treatment exhibited enhanced bioactivity while consisting mainly of rutile. These findings indicated a key role of both rutile and anatase for the reactivity of the coatings. Without preheat treatment, by laser treatment alone, the amorphous titania coatings developed into mixed anatase/rutile containing coatings. This structural organization and the increase in crystal size are thus considered to be the reasons for their bioactivity. The SBF results indicate the possibility to control bioactivity by altering laser power used through the anatase/rutile crystallinity enhancement.
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PMID:TF-XRD examination of surface-reactive TiO2 coatings produced by heat treatment and CO2 laser treatment. 1570 75

Titanium dioxide nanoparticles were produced by the controlled hydrolysis of titanium tetraisopropoxide (TTIP) in the presence of reverse micelles formed in CO2 with the surfactants ammonium carboxylate perfluoropolyether (PFPECOO-+NH4) (Mw = 587) and poly(dimethyl amino ethyl methacrylate-block-1H,1H,2H,2H-perfluorooctyl methacrylate) (PDMAEMA-b-PFOMA). Based on dynamic light scattering measurements, the amorphous TiO2 particles formed by injection of TTIP are larger than the reverse micelles, indicating surfactant reorganization. The size of the particles and the stability of dispersions in CO2 were affected by the molar ratio of water to surfactant headgroup (w(o)), precursor concentration, and injection rate. The amorphous particle size did not change upon depressurization and redispersion in CO2. PDMAEMA-b-PFOMA provided greater stability against particle aggregation at higher reactant concentration compared with PFPECOO-+NH4. The crystallite size after calcination, which was examined by X-ray diffraction and transmission electron microscopy, increased with w(o).
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PMID:Synthesis of TiO2 nanoparticles utilizing hydrated reverse micelles in CO2. 1583 11


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