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71.
This paper presents a time integrator, which is based on a time discrete spatially weak finite element formulation, but fulfills the same balance laws as the underlying (five) differential equations. Namely, in addition to the balances of linear and angular momentum as well as entropy, also the balances of total energy and LYAPUNOV function are fulfilled. The spatially weak formulation is obtained by integration by parts. Where the resulting virtual stress power term is well-known, the virtual entropy production by conduction of heat is less known. The time discretisation is based on the midpoint rule and non-standard time discrete differential operators. This time integrator is a further development of the TC integrator of I. ROMERO. (© 2014 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim) 相似文献
72.
Steven J. Granger Roland Bol Wolfram Meier‐Augenstein Melanie J. Leng Helen F. Kemp Tim H. E. Heaton Sue M. White 《Rapid communications in mass spectrometry : RCM》2010,24(5):475-482
Stable isotopes of water have been previously used in catchment studies to separate rain‐event water from pre‐event groundwater. However, there are a lack of studies at the smaller scale looking at the separation of event water from pre‐event water. This is particularly relevant for heavy clay soil systems through which the movement of water is uncertain but is thought to be rainwater‐dominated. The data presented here were collected at a rural site in the south‐west of England. The historic rainfall at the site was isotopically varied but similar to the global meteoric water line, with annual weighted means of ?37‰ for δ2H and ?5.7‰ for δ18O and with no seasonal variation. Drainage was sampled from the inter‐flow (surface runoff + lateral through‐flow) and drain‐flow (55 cm deep mole drains) pathways of two 1 ha lysimeters during two rainfall events, which had δ2H values of ?68‰ and ?92‰, respectively. The δ2H values of the lysimeter drainage water suggest that there was no contribution of event water during the first, small discharge (Q) event; however, the second larger event did show isotopic variation in δ2H values negatively related to Q indicating that rainwater was contributing to Q. A hydrograph separation indicated that only 49–58% of the inter‐flow and 18–25% of the drain‐flow consisted of event water. This was surprising given that these soil types are considered retentive of soil water. More work is needed on heavy clay soils to understand better the nature of water movement from these systems. Copyright © 2010 John Wiley & Sons, Ltd. 相似文献
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Michael Schmuker Marien de Bruyne Melanie Hähnel Gisbert Schneider 《Chemistry Central journal》2007,1(1):11-10
Background
Olfactory receptors work at the interface between the chemical world of volatile molecules and the perception of scent in the brain. Their main purpose is to translate chemical space into information that can be processed by neural circuits. Assuming that these receptors have evolved to cope with this task, the analysis of their coding strategy promises to yield valuable insight in how to encode chemical information in an efficient way. 相似文献79.
A wide variety of 3-alkyne-1,2-diols have been found to undergo exceptionally clean 5-endo-dig cyclisations followed by dehydration at ambient temperature to give the corresponding furans in essentially quantitative yields when exposed to 10 mol % of 10% w/w silver(I) nitrate absorbed on silica gel. 相似文献
80.
Caterpillar Track Complexes in Template‐Directed Synthesis and Correlated Molecular Motion 下载免费PDF全文
Shiqi Liu Dr. Dmitry V. Kondratuk Dr. Sophie A. L. Rousseaux Dr. Guzmán Gil‐Ramírez Dr. Melanie C. O'Sullivan Jonathan Cremers Prof. Tim D. W. Claridge Prof. Harry L. Anderson 《Angewandte Chemie (International ed. in English)》2015,54(18):5355-5359
Small alterations to the structure of a star‐shaped template totally change its mode of operation. The hexapyridyl template directs the conversion of a porphyrin dimer to the cyclic hexamer, but deleting one pyridine site changes the product to the cyclic decamer, while deleting two binding sites changes the product to the cyclic octamer. This surprising switch in selectivity is explained by the formation of 2:1 caterpillar track complexes, in which two template wheels bind inside the nanoring. Caterpillar track complexes can also be prepared by binding the hexapyridyl template inside the 8‐ and 10‐porphyrin nanorings. NMR exchange spectroscopy (EXSY) experiments show that these complexes exhibit correlated motion, in which the conrotatory rotation of the two template wheels is coupled to rotation of the nanoring track. In the case of the 10‐porphyrin system, the correlated motion can be locked by binding palladium(II) dichloride between the two templates. 相似文献