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排序方式: 共有7917条查询结果,搜索用时 15 毫秒
31.
研究了ΔH-pyrans,fulvenes,siloles等环状多烯结构的小分子荧光染料在溶液,固态及薄层层析板上的荧光发射行为.与大多数传统的荧光染料小分子不同,这些多烯类荧光染料分子在稀溶液中基本没有荧光,而在聚集态下呈现非常明亮的荧光发射,同时伴随着荧光量子效率的大幅提高(聚集诱导发光).它们在薄层层析板上也具有很强的荧光发射.但当薄层层析板暴露于有机溶剂气氛下,荧光消失,离开有机溶剂气氛,荧光恢复,这一可逆过程并可多次重复.在固体状态,它们的荧光发射与聚集态结构密切相关.通过从无定型态到结晶态以及从一种结晶态到另一种结晶态的变化,可以有效的调节它们的固体荧光发射. 相似文献
32.
Matthias Heuchel Martin Bhning Ole Hlck Martin R. Siegert Dieter Hofmann 《Journal of Polymer Science.Polymer Physics》2006,44(13):1874-1897
Atomistic packing models have been created, which help to better understand the experimentally observed swelling behavior of glassy polysulfone and poly (ether sulfone), under CO2 gas pressures up to 50 bar at 308 K. The experimental characterization includes the measurement of the time‐dependent volume dilation of the polymer samples after a pressure step and the determination of the corresponding gas concentrations by gravimetric gas‐sorption measurements. The models obtained by force‐field‐based molecular mechanics and molecular dynamics methods allow a detailed atomistic analysis of representative swelling states of polymer/gas systems, with respect to the dilation of the matrix. Also, changes of free volume distribution and backbone mobility are accessible. The behavior of gas molecules in unswollen and swollen polymer matrices is characterized in terms of sorption, diffusion, and plasticization. © 2006 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 44: 1874–1897, 2006 相似文献
33.
Matthias Heydenreich Andreas Koch E. Kleinpeter Thomas Zimmermann 《Fresenius' Journal of Analytical Chemistry》1997,357(5):517-521
Dynamic NMR investigations of a number of 2-amino-3-aroyl-4,6-diaryl-pyrylium salts were carried out. The barrier to rotation
of the partial C, N double bond was determined and proved to be in the range of 62 to 63 kJ/mol. Quantum chemical calculations
of bond orders and electron densities of the different atoms in the molecules show the distinct double bond character of the
exocyclic C, N bond. This is in agreement with the relatively high barrier to rotation. By quantum chemical ab initio 3-21G
calculations, the dynamic behaviour of this kind of compounds was simulated; two pairs (image and mirror image) of ground
state conformations, in coincidence with the experiment, were obtained.
Received: 10 May 1996 / Revised: 1 July 1996 / Accepted: 4 July 1996 相似文献
34.
We study a small quantum system (e.g., a simplified model for an atom or molecule) interacting with two bosonic or fermionic
reservoirs (say, photon or phonon fields). We show that the combined system has a family of stationary states parametrized
by two numbers, T
1 and T
2 (‘reservoir temperatures’). If T
1 ≠ T
2, then these states are non-equilibrium stationary states (NESS). In the latter case we show that they have nonvanishing heat
fluxes and positive entropy production and are dynamically asymptotically stable. The latter means that the evolution with
an initial condition, normal with respect to any state where the reservoirs are in equilibria at temperatures T
1 and T
2, converges to the corresponding NESS. Our results are valid for the temperatures satisfying the bound min (T
1,T
2) > g
2 + α, where g is the coupling constant and 0 < α < 1 is a power related to the infra-red behaviour of the coupling functions.
Submitted: March 20, 2006. Revised: March 19, 2007. Accepted: May 11, 2007.
Marco Merkli: Partly supported by an NSERC PDF, the Institute of Theoretical Physics of ETH Zürich, Switzerland, the Departments
of Mathematics of McGill University and the University of Toronto, Canada.
Matthias Mück: Supported by DAAD under grant HSP III.
Israel Michael Sigal: Supported by NSERC under grant NA7901. 相似文献
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S. Scott Collis Kaveh Ghayour Matthias Heinkenschloss Michael Ulbrich Stefan Ulbrich 《国际流体数值方法杂志》2002,40(11):1401-1429
The control of complex, unsteady flows is a pacing technology for advances in fluid mechanics. Recently, optimal control theory has become popular as a means of predicting best case controls that can guide the design of practical flow control systems. However, most of the prior work in this area has focused on incompressible flow which precludes many of the important physical flow phenomena that must be controlled in practice including the coupling of fluid dynamics, acoustics, and heat transfer. This paper presents the formulation and numerical solution of a class of optimal boundary control problems governed by the unsteady two‐dimensional compressible Navier–Stokes equations. Fundamental issues including the choice of the control space and the associated regularization term in the objective function, as well as issues in the gradient computation via the adjoint equation method are discussed. Numerical results are presented for a model problem consisting of two counter‐rotating viscous vortices above an infinite wall which, due to the self‐induced velocity field, propagate downward and interact with the wall. The wall boundary control is the temporal and spatial distribution of wall‐normal velocity. Optimal controls for objective functions that target kinetic energy, heat transfer, and wall shear stress are presented along with the influence of control regularization for each case. Copyright © 2002 John Wiley & Sons, Ltd. 相似文献
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