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11.
Propane fuel cells using H(3)PO(4)-doped polybenzimidazole polymer membranes produce low and unsustainable current densities at temperatures up to 250 degrees C under anhydrous conditions. Stable intermediate species blocked the surface of noble metal anode catalysts, and the intermediate species could not react further into desorbable final products. In contrast, when water was introduced by light humidification (S(r) 0.08%) of the propane stream, sustainable and higher current densities were achieved. Water participated in the reaction sequence to form surface-bound hydrocarbon and then oxygen-containing intermediates and thereby generated CO and CO(2) as the only carbon-containing products. 相似文献
12.
Using normal coordinate analysis, the infrared spectrum of cyclopentanone has been computed as the geometry is modified from the planar form to those in which the geometry about the 5-membered ring looks like 2-norbornanone and also like 7-norbornanone. The computed v
co of cyclopentanone is 1739.9 cm–1 compared to the experimental value of 1740 cm–1.As the cyclopentanone ring is deformed to resemble either the 2-norbornanone or the 7-norbornanone ring system, the computed v
co is too low using the force fields that give good agreement with experimental value for cyclopentanone. The carbonyl force constant had to be increased from 9.7 to 10.0 mdynes/Å for the 2-norbornanone-like model and to 10.4 mdynes/Å for the 7-model system to give v
co values in agreement with the experimental values.
Zusammenfassung Mit Hilfe der Normalkoordinaten-Analyse wird das Infrarotspektrum des Zyklopentanons berechnet, wobei die Geometrie von der planaren Form bis zu der Form, bei der die Geometrie am Fünfring derjenigen des 2-Norbornanons oder auch des 7-Norbornanons ähnlich wird, variiert wird. Der berechnete Wert von v co des Zyklopentanons ist 1739,9 cm–1, während der experimentelle Wert 1740 cm–1 beträgt. Bei den angegebenen Deformationen des Zyklopentanonrings wird der berechnete Wert von v co zu niedrig, wenn man die Kraftfelder zugrunde legt, die für das Zyklopentanon gute Übereinstimmung mit dem Experiment liefern. Die Carbonylkraftkonstanten mußten von 9,7 auf 10,0 m dyn/Å für das 2-Norbornanon-Modell sowie auf 10,4 m dyn/Å für das 7-Norbornanon erhöht werden, um den Wert von v co in Übereinstimmung mit dem Experiment zu bringen.
Résumé Le spectre infra-rouge de la cyclopentanone a été calculé en employant l'analyse en coordonnées normales lorsque l'on modifie la géométrie depuis la forme plane jusqu'aux formes o u les configurations sur le noyau pentagonal ressemblent à celles de la 2-norbornanone et de la 7-norbornanone. La fréquence co calculée pour la cyclopentanone est 1739.8 cm–1 comparée à la valeur expérimentale de 1740 cm–1. Lorsque l'on déforme le cycle de la cyclopentanone comme indiqué ci-dessus, la valeur calculée de co est trop faible si l'on emploie les champs de force qui donnent un bon accord avec la valeur expérimentale pour la cyclopentanone. La constante de force du carbonyle doit etre augmentée de 9,7 à 10,0 mdynes/Å pour le modèle analogue à la 2-norbornanone et de 9,7 à 10,4 mdynes/Å pour le modèle analogue à la 7-norbornanone.相似文献
13.
First-principles molecular dynamics simulations are carried out to study the structures, dynamics, and electronic properties of liquid Al88Si12 in the temperature ranging from 898 to 1298 K. The temperature dependence of static structure factors, pair correlation functions, and electronic density-of-states are investigated. The structural properties obtained from the simulations are in good agreement with the x-ray diffraction experimental results. 相似文献
14.
A mixed metal phosphate incorporating isonicotinate ligand, Cu(HINT)(VO2)(PO4), was hydrothermally synthesized and characterized by single-crystal X-ray diffraction and magnetic susceptibility. This compound crystallizes in the monoclinic space group C2/c with cell parameters a=22.033(1) Å, b=6.2986(3) Å, c=16.0202(9) Å, β=121.001(1), and Z=8. The structure consists of two-dimensional neutral sheets of CuVO2(PO4) with the dipolar isonicotinate ligand being coordinated to Cu ions as a pendent group. Adjacent sheets are connected by hydrogen bonding. Each sheet consists of infinite chains of CuO6 octahedra sharing trans edges which are connected by double chains of vanadyl(V) phosphate via corner sharing. Magnetic study results indicate the presence of intrachain ferromagnetic coupling between Cu ions. The magnetic exchange parameter was estimated as 2J/k =51.83 K based on an S=1/2 equally spaced ferromagnetic chain model. 相似文献
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18.
We describe the syntheses of 6, 8-di-tert-butyl-, 7, 9-di-tert-butyl., 6,7-di-n-propyl and 8, 9-di-n-propyl-O-spirodienonelactone from 3, 5-di-tert-butylcatechol and 3, 4-di-n-propylcatechol. 相似文献
19.
The membrane formation of crystalline poly(ethylene-co-vinyl alcohol) (EVAL), poly(vinylidene fluoride) (PVDF), and polyamide (Nylon-66) membranes prepared by dry-cast process was studied. Membrane morphologies from crystalline polymers were found to be strongly dependent on the evaporation temperature. At low temperatures, all the casting solution evaporated into a particulate morphology that was governed by the polymer crystallization mechanism. The rise in the evaporation temperature changed EVAL membrane structure from a particulate to a dense morphology. However, as the temperature increased PVDF and Nylon-66 membranes still exhibited particulate morphologies. The membrane structures obtained were discussed in terms of the characteristics of polymer crystallization in the casting solution theoretically. At elevated temperatures the crystallization was restricted for the EVAL membrane because the increase rate in the polymer concentration was fast relative to the time necessary for growth of nuclei. Nonetheless, the time available for PVDF and Nylon-66 with stronger crystalline properties was large enough to form the crystallization-controlled particulate structure that differed in particle size only. In addition, particles in the PVDF membrane were driven together to disappear the boundary, but those in the Nylon-66 membrane exhibited features of linear grain boundary. The difference in particle morphology was attributed to the Nylon-66 with the most strongly crystalline property. Therefore, the kinetic difference in the crystallization rate of the polymer solution play an important role in dominating the membrane structure by dry-cast process. 相似文献
20.
Eleven human hair samples were taken from the Chinese residents of Hong Kong for the study of hair trace elemental level and
environmental exposures. Absolute neutron activation analysis and Ge(Li) gamma-ray spectrometry were applied in the determination
of the trace elemental level. All results are reported in parts per million except for sulfur and oxygen which are reported
in percent. The trace element content of hair from a drug addict was found to be considerably different from other sampled
people. Comparison of the normal concentrations of the trace elements of the Chinese residents of Hong Kong was made with
those from people of various other national, socio-cultural and environmental backgrounds. It was found that together with
a few other trace elements, Ni, Sr, Zr and Hg content of the Chinese Residents of Hong Kong show a higher level than those
of the other sampled people. 相似文献