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CO2 Molecules (co2 + molecule)
Selected AbstractsEthanol and Acetaldehyde Adsorption on a Carbon-Supported Pt Catalyst: A Comparative DEMS StudyFUEL CELLS, Issue 1-2 2004H. Wang Abstract The adsorption of ethanol and acetaldehyde on carbon Vulcan supported Pt fuel cell catalyst and the electrochemical desorption of the adsorption products were studied, using electrochemical measurements and differential electrochemical mass spectrosmetry (DEMS), under continuous flow conditions. Faradaic current adsorption transients at different constant adsorption potentials, which also include CO adsorption for comparison, show pronounced effects of the adsorption potential and the nature of the reactant molecule. Acetaldehyde adsorption is much faster than ethanol adsorption at all potentials. Pronounced Had induced blocking effects for ethanol adsorption are observed at very cathodic adsorption potentials, < 0.16,V, while for acetaldehyde adsorption this effect is much less significant. Comparison of the adsorption charge for CO adsorption with the H-upd charge allows differentiation between H-displacement and double-layer charging effects. Continuous bulk oxidation is observed for both reactants at potentials > 0.31,V; for acetaldehyde adsorption, increasing bulk reduction is found at low potentials. Based on the electron yield per CO2 molecule formed and on the similarity with the CO stripping characteristics the dominant stable adsorbate is CO, coadsorbed with smaller amounts of (partly oxidized) hydrocarbon decomposition fragments, which are also oxidized at higher potentials (> 0.85,V) and which can be reductively desorbed as methane or, to a very small extent, as ethane. The presence of small amounts of adsorbed C2 species and the oxidative dissociation of these species in the main CO oxidation potential range is clearly demonstrated by increased methane desorption after a potential shift to 0.85,V. The data demonstrate that the Pt/Vulcan catalyst is very reactive for C-C bond breaking upon adsorption of these reactants. [source] Field-free molecular alignment of CO2 mixtures in presence of collisional relaxationJOURNAL OF RAMAN SPECTROSCOPY, Issue 6 2008T. Vieillard Abstract The present work explores the extension of the concept of short-pulse-induced alignment to dissipative environments within quantum mechanical density matrix formalism (Liouville equation) from the weak to the strong field regime. This is illustrated within the example of the CO2 molecule in mixture with Ar and He, at room temperature, for which a steep decrease of the alignment is observed at moderate pressure because of the collisional relaxation. The field-free alignment is measured by a polarization technique where the degree of alignment is monitored in the time domain by measuring the resulting transient birefringence with a probe pulse Raman induced polarization spectroscopy (RIPS) Copyright © 2008 John Wiley & Sons, Ltd. [source] Kinetics and mechanism of the oxidation of 4-methyl-3-thiosemicarbazide by acidic bromate,INTERNATIONAL JOURNAL OF CHEMICAL KINETICS, Issue 4 2002Sreekantha B. Jonnalagadda The oxidation of 4-methyl-3-thiosemicarbazide (MTSC) by bromate and bromine was studied in acidic medium. The stoichiometry of the reaction is extremely complex, and is dependent on the ratio of the initial concentrations of the oxidant to reductant. In excess MTSC and after prolonged standing, the stoichiometry was determined to be H3CN(H)CSN(H)NH2 + 3BrO3, , 2CO2 + NH4+ + SO42, + N2 + 3Br, + H+ (A). An interim stoichiometry is also obtained in which one of the CO2 molecules is replaced by HCOOH with an overall stoichiometry of 3H3CN(H)CSN(H)NH2 + 8BrO3, , CO2 + NH4+ + SO42, + HCOOH + N2 + 3Br, + 3H+ (B). Stoichiometry A and B are not very different, and so mixtures of the two were obtained. Compared to other oxidations of thiourea-based compounds, this reaction is moderately fast and is first order in both bromate and substrate. It is autocatalytic in HOBr. The reaction is characterized by an autocatalytic sigmoidal decay in the consumption of MTSC, while in excess bromate conditions the reaction shows an induction period before autocatalytic formation of bromine. In both cases, oxybromine chemistry, which involves the initial formation of the reactive species HOBr and Br2, is dominant. The reactions of MTSC with both HOBr and Br2 are fast, and so the overall rate of oxidation is dependent upon the rates of formation of these reactive species from bromate. Our proposed mechanism involves the initial cleavage of the CN bond on the azo-side of the molecule to release nitrogen and an activated sulfur species that quickly and rapidly rearranges to give a series of thiourea acids. These thiourea acids are then oxidized to the sulfonic acid before cleavage of the CS bond to give SO42,, CO2, and NH4+. © 2002 Wiley Periodicals, Inc. Int J Chem Kinet 34: 237,247, 2002 [source] Chemisorption of carbon dioxide on sodium oxide promoted aluminaAICHE JOURNAL, Issue 11 2007K. B. Lee Abstract New equilibrium and column dynamic data for chemisorption of carbon dioxide from inert nitrogen at 250, 350, and 450°C were measured on a sample of sodium oxide promoted alumina, which was found to be a reversible chemisorbent for CO2. The equilibrium chemisorption isotherms were Langmuirian in the low pressure region (p <2.0 kPa) with a large gas,solid interaction parameter. The isotherms deviated from the Langmuirian behavior in the higher pressure region. A new analytical model which simultaneously accounted for Langmuirian chemisorption of CO2 on the adsorbent surface and additional reaction between the gaseous and sorbed CO2 molecules was used to describe the measured equilibrium data. The heats of CO2 chemisorption and the additional surface reaction were, respectively, 64.9 and 37.5 kJ/mol. The column breakthrough curves for CO2 sorption from inert N2 on the chemisorbent as well as the desorption of CO2 from the chemisorbent by N2 purge at 350°C could be described by the linear driving force (LDF) model in conjunction with the new sorption isotherm. The same LDF mass transfer coefficients can be used to describe both sorption and desorption processes. The CO2 mass transfer coefficients were (i) independent of feed gas CO2 concentration in the range of the data at a given temperature, and (ii) a weak function of temperature. The ratio of the mass transfer zone length to the column length was very small due to highly favorable CO2 sorption equilibrium. Several sequential cyclic CO2 sorption,desorption column dynamic tests were conducted to demonstrate the apparent stability of the material. © 2007 American Institute of Chemical Engineers AIChE J, 2007 [source] The quantification of carbon dioxide in humid air and exhaled breath by selected ion flow tube mass spectrometryRAPID COMMUNICATIONS IN MASS SPECTROMETRY, Issue 10 2009David Smith The reactions of carbon dioxide, CO2, with the precursor ions used for selected ion flow tube mass spectrometry, SIFT-MS, analyses, viz. H3O+, NO+ and O, are so slow that the presence of CO2 in exhaled breath has, until recently, not had to be accounted for in SIFT-MS analyses of breath. This has, however, to be accounted for in the analysis of acetaldehyde in breath, because an overlap occurs of the monohydrate of protonated acetaldehyde and the weakly bound adduct ion, H3O+CO2, formed by the slow association reaction of the precursor ion H3O+ with CO2 molecules. The understanding of the kinetics of formation and the loss rates of the relevant ions gained from experimentation using the new generation of more sensitive SIFT-MS instruments now allows accurate quantification of CO2 in breath using the level of the H3O+CO2 adduct ion. However, this is complicated by the rapid reaction of H3O+CO2 with water vapour molecules, H2O, that are in abundance in exhaled breath. Thus, a study has been carried out of the formation of this adduct ion by the slow three-body association reaction of H3O+ with CO2 and its rapid loss in the two-body reaction with H2O molecules. It is seen that the signal level of the H3O+CO2 adduct ion is sensitively dependent on the humidity (H2O concentration) of the sample to be analysed and a functional form of this dependence has been obtained. This has resulted in an appropriate extension of the SIFT-MS software and kinetics library that allows accurate measurement of CO2 levels in air samples, ranging from very low percentage levels (0.03% typical of tropospheric air) to the 6% level that is about the upper limit in exhaled breath. Thus, the level of CO2 can be traced through single time exhalation cycles along with that of water vapour, also close to the 6% level, and of trace gas metabolites that are present at only a few parts-per-billion. This has added a further dimension to the analysis of major and trace compounds in breath using SIFT-MS. Copyright © 2009 John Wiley & Sons, Ltd. [source] Dimerization of CO2 at High Pressure and TemperatureCHEMPHYSCHEM, Issue 9 2005Francesco Tassone Dr. Two,s company: Constant-pressure ab initio molecular dynamics simulations reveal the reaction of two CO2 molecules to form the metastable C2O4 species (see picture) in high-temperature (4000 K) and high-pressure (,20 GPa) liquid CO2. The dimer exhibits a unique Raman-active vibrational mode, which is characteristic for this molecule and consistent with experimental observations. [source] | ||||||||||