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Alberto Sturaro Giorgio Parvoli Lucio Doretti Cristina Bancomina Carlo Neonato 《Journal of mass spectrometry : JMS》1994,29(10):575-577
The determination of vinyl acetate at parts per 109 by volume (ppbv) levels in air by gas chromatography/mass spectrometry (GC/MS) was achieved by optimizing the GC conditions and choosing specific extraction solvents that are sufficiently pure. The ideal solvent should not give rise to fragment ions at m/z 43, in order to rule out any possible interference during the monitoring of the same vinyl acetate ion. Traces of acetone and butan-2-one in solvents suitable for this GC/MS determination may also mislead the detection of vinyl acetate. A 440 μl volume of a mixture of tetrachloroethylene containing 9% acetonitrile allowed the recovery of more than 90% of the ester with a detection limit of 1.5 ppbv in air together with a good linearity of response. 相似文献
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Valentina Domenici Carlo Alberto Veracini Katalin Fodor-Csorba Giacomo Prampolini Ivo Cacelli Andrjia Lebar Bostjan Zalar 《Chemphyschem》2007,8(16):2321-2330
The orientational properties of the banana-shaped liquid crystal 4-chloro-1,3-phenylenebis{4-[4'-(10-undecenyloxy)]benzoyloxy} benzoate (ClPbis11BB) are reported in the nematic phase under the effect of an external magnetic field. A new hypothesis, which states that the central ring of the aromatic core is oriented perpendicularly to the external magnetic field, is proposed. In support of this hypothesis, a series of studies based on (2)H NMR spectroscopy, both in the bulk and in solution, are discussed. (2)H NMR measurements on three selectively deuterium-labelled isotopomers are presented, together with DFT results from B3LYP/cc-pvDz calculations performed on the aromatic core. The rather flat shape of the investigated intramolecular energy surface allows for several different conformations to be populated, the computed magnetic susceptibilities of which are consistent with the proposed hypothesis of peculiar orientation of banana-shaped molecules. Moreover, the orientation of the magnetic susceptibility tensor is shown to be strongly dependent on the internal conformation of the banana-shaped molecules. 相似文献
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A boundary value problem for the stationary nonlinear Boltzmann equation in a slab has been examined in a weightedL
space. It has been proved that the problem possesses a unique solution for boundary data small enough. The proof is based on the implicit function theorem. It has also been shown that for the linearized problem the Fredholm alternative applies. 相似文献
27.
Katleen Boussu Jérémie De Baerdemaeker Charles Dauwe Marc Weber Kelvin G Lynn Diederik Depla Steliana Aldea Ivo F J Vankelecom Carlo Vandecasteele Bart Van der Bruggen 《Chemphyschem》2007,8(3):370-379
This study presents a methodology for an in-depth characterization of six representative commercial nanofiltration membranes. Laboratory-made polyethersulfone membranes are included for reference. Besides the physical characterization [molecular weight cut-off (MWCO), surface charge, roughness and hydrophobicity], the membranes are also studied for their chemical composition [attenuated total reflectance Fourier spectroscopy (ATR-FTIR) and X-ray photoelectron spectroscopy (XPS)] and porosity [positron annihilation spectroscopy (PAS)]. The chemical characterization indicates that all membranes are composed of at least two different layers. The presence of an additional third layer is proved and studied for membranes with a polyamide top layer. PAS experiments, in combination with FIB (focused ion beam) images, show that these membranes also have a thinner and a less porous skin layer (upper part of the top layer). In the skin layer, two different pore sizes are observed for all commercial membranes: a pore size of 1.25-1.55 angstroms as well as a pore size of 3.20-3.95 angstroms (both depending on the membrane type). Thus, the pore size distribution in nanofiltration membranes is bimodal, in contrast to the generally accepted log-normal distribution. Although the pore sizes are rather similar for all commercial membranes, their pore volume fraction and hence their porosity differ significantly. 相似文献
28.
María?Belén?Sierra Marcela?A.?Morini Pablo?C.?SchulzEmail author María?Luján?Ferreira 《Colloid and polymer science》2005,283(9):1016-1024
Following the studies on the effect of double bonds in the surfactant hydrophobic tail on the formation of mixed surfactant aggregates, we studied the viscosity and density of the system Sodium 10-undecenoate (SUD)–decyltrimethylammonium bromide (DTAB)–water. We found that the partial molar volume (pmv) and intrinsic viscosity of both, micellised and unmicellised mixtures, are non-ideal, dependent on the mixture composition and related to structural changes in micelles. These phenomena are caused by the presence of the double bond at the distal extreme of the SUD molecule, which has some affinity with water by formation of hydrogen bonds. In particular, as far as we know, this is the first report on non-ideal behavior of the pmv in mixed micelles. 相似文献
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The aqueous cationic system sodium undecenoate-dodecyltrimethylammonium bromide at low concentration
Maria?Belén?Sierra Marcela?A.?Morini Pablo?C.?SchulzEmail author 《Colloid and polymer science》2004,282(6):633-641
The aqueous sodium undecenoate (SUD) –dodecyltrimethylammonium bromide (DTAB) catanionic system was studied at low concentration. The system did not precipitate, even at a 1:1 SUD:DTAB proportion, but showed the formation of a coacervate in a range of surfactant mixture compositions. Micelles have a preferential composition of 0.37 mole fraction of SUD. This behavior is attributed to the presence of the double bond at the distal extreme of the SUD molecule, which can form hydrogen bonds with water. Consequently, the –CH=CH2 group is situated at the interface between the hydrocarbon micelle core and water, reducing the interfacial free energy. Structural computations demonstrate that the mentioned SUD proportion produces complete coverage of the micelle surface by the double bonds. 相似文献
30.
Rosanna Bonaccorsi Carlo Petrongolo Eolo Scrocco Jacopo Tomasi 《Theoretical chemistry accounts》1971,20(4):331-342
A model to facilitate the computation of the most stable conformer of associated M · H2O (M being a polar molecule) which depends upon the electrostatic interaction energy between the two associated molecules is proposed and tested. SCF electrostatic potentials for the M molecule and a suitable point charge distribution for H2O were employed in the model computations. Energies predicted by the model are found to be in good agreement with those resulting from an ab initio minimal STO basis SCF treatment of some conformations of the H2O dimer.
Work performed with the financial support of the Consiglio Nazionale delle Ricerche, through its Laboratorio di Chimica Quantistica ed Energetica Molecolare. 相似文献
Zusammenfassung Ein Modell zur Durchführung der Berechnung des stabilsten Konformeren eines Assoziationskomplexes M · H2O, wobei M ein polares Molekül ist, wird vorgeschlagen und untersucht. Es basiert auf der elektrostatischen Wechselwirkung zwischen beiden Partnern, und zwar wird für das Molekül M der elektrostatische Anteil seines SCF-Potentials und für H2O eine angemessene Punktladungsverteilung zugrunde gelegt. Die resultierenden Energien sind in guter Übereinstimmung mit denen, die sich bei einer ab initio Rechnung mit minimaler STO Basis ergeben.
Work performed with the financial support of the Consiglio Nazionale delle Ricerche, through its Laboratorio di Chimica Quantistica ed Energetica Molecolare. 相似文献