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191.
We present here a methodology for searching a robust pore size distribution (PSD) for adsorbent materials. The method is based on a combination of individual adsorption isotherms, obtained from Grand Canonical Monte Carlo simulations, a regularization procedure to invert the adsorption integral equation (Tikhonov regularization solved by singular value decomposition), and the needed experimental adsorption isotherm. The selection of several parameters from the available choices to start the procedure are discussed here: the size of the kernel (number of individual pores and number of experimental adsorption points to be included), the fulfillment of the Discrete Picard condition, and the L-curve criteria, all leading to find a reliable and robust PSD. The procedure is applied to plugged hexagonal templated silicas (PHTS), synthesized, and characterized in our laboratory. 相似文献
192.
K. C. Kumara Swamy E. Balaraman M. Phani Pavan N. N. Bhuvan Kumar K. Praveen Kumar N. Satish Kumar 《Journal of Chemical Sciences》2006,118(6):495-501
The diversity of products in the reaction of diethyl azodicarboxylate (DEAD)/diisopropyl azodicarboxylate (DIAD) and activated
acetylenes with PIII compounds bearing oxygen or nitrogen substituents is discussed. New findings that are useful in understanding the nature
of intermediates involved in the Mitsunobu reaction are highlighted. X-ray structures of two new compounds (2-t-Bu-4-MeC6H3O)P (μ-N-t-Bu)2P+[(NH-t-Bu)N[(CO2]-i-Pr)(HNCO2-i-Pr)]](Cl-)(2-t-Bu-4-MeC6H3OH)(23)and [CH2(6-t-Bu-4-Me-C6H2O)2P(O)C(CO2Me)C-(CO2Me)CClNC(O)Cl] (33) are also reported. The structure of23 is close to one of the intermediates proposed in the Mitsunobu reaction. 相似文献
193.
194.
C. Michael 《The European Physical Journal A - Hadrons and Nuclei》2003,18(2-3):257-260
Lattice QCD can give direct information on OZI-violating contributions to mesons. Here we explore the contributions that split flavour singlet and non-singlet meson masses. I discuss in detail the spectrum and decays for scalar mesons (i.e. including glueball effects). I also review the status of hybrid mesons and their decays.Received: 30 September 2002, Published online: 22 October 2003PACS:
12.38.Gc Lattice QCD calculations - 12.39.Mk Glueball and nonstandard multi-quark/gluon states 相似文献
195.
Aernout C. D. van Enter 《Journal of statistical physics》1987,47(5-6):905-910
Some recent results on one-dimensional spin-glass models with polynomially decreasing interactions are described. 相似文献
196.
3-Hydroxy-4-hydroxymethyl pyrrolidin-2-ones, easily prepared from the Baylis–Hillman adduct 1-ethyl-4-methyl-2-hydroxy-3-methylenebutanedioate, are useful intermediates in the synthesis of bioactive compounds. In order to understand the mechanism involved in this reaction, vibrational and Montecarlo molecular mechanics conformational analysis on 1-ethyl-4-methyl-2-hydroxy-3-methylenebutanedioate were carried out, confirming the existence of a low energy intramolecular H-bonded five-member ring. 相似文献
197.
198.
C. M. Silva R. S. Amaral A. Amaral J. A. Santos Júnior D. C. Santos L. E. Lima S. V. Silveira 《Journal of Radioanalytical and Nuclear Chemistry》2006,270(1):237-241
Summary Studies performed by the Brazilian Nuclear Corporation (NUCLEBRAS), in collaboration with the Geological Survey Company of
Brazil (CPRM), identified high levels of natural uranium in the districts of Pedra and Venturosa, in the rural region of the
state of Pernambuco (PE) - Brazil, where the maximum value found in rocks was 22,000 mg. 相似文献
199.
C. Brunhuber F. G. Mertens Y. Gaididei 《The European Physical Journal B - Condensed Matter and Complex Systems》2004,42(1):103-112
We study the motion of envelope solitons on anharmonic atomic chains in the presence of dissipation and thermal fluctuations. We consider the continuum limit of the discrete system and apply an adiabatic perturbation theory which yields a system of stochastic integro-differential equations for the collective variables of the ansatz for the perturbed envelope soliton. We derive the Fokker-Planck equation of this system and search for a statistically equivalent system of Langevin equations, which shares the same Fokker-Planck equation. We undertake an analytical analysis of the Langevin system and derive an expression for the variance of the soliton position Var[x
s
] which predicts a stronger than linear time dependence of Var[x
s
] (superdiffusion). We compare these results with simulations for the discrete system and find they agree well. We refer to recent studies where the diffusion of pulse solitons were found to exhibit a superdiffusive behaviour on longer time scales.Received: 28 June 2004, Published online: 26 November 2004PACS:
05.10.Gg Stochastic analysis methods - 05.45.Yv Solitons - 05.40.-a Fluctuation phenomena, random processes, noise, and Brownian motion - 05.50. + q Lattice theory and statistics 相似文献
200.