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31.
We present all-atom molecular dynamics simulations ofn-hexane on the basal plane of graphite at monolayer and multilayer coverages. In keeping with experimental data, we find the
presence of ordered adsorbed layers both at single monolayer coverage and when the adsorbed layer coexists with excess liquid
adsorbate. Using a simulation method that does not impose any particular periodicity on the adsorbed layer, we quantitatively
compare our results to the results of neutron diffraction experiments and find a structural transition from a uniaxially incommensurate
lattice to a fully commensurate structure on increasing the coverage from a monolayer to a multilayer. The zig-zag backbone
planes of all the alkane molecules lie parallel to the graphite surface at the multilayer coverage, while a few molecules
are observed to attain the perpendicular orientation at monolayer coverage.
Dedicated to Professor C N R Rao on his 70th birthday 相似文献
32.
A one-dimensional bulk reaction model for the oxidation of nickeltitanium is formulated, with preferential oxidation of titaniumbeing included. The modelling is directed at the better understandingof the dominant mechanisms involved in the oxidation processand their significance for the biocompatibility of the alloy.Two different regimes for the relative diffusivities of oxygenand the metals are investigated. By assuming fast bulk reactions,different asymptotic structures emerge in different parameterregimes and the resulting models take the form of moving boundaryproblems. Different profiles of nickel concentration are obtained:in particular a nickel-rich layer (observed in practice) ispresent below the oxide/metal interface for the case when oxygenand the metals diffuse at comparable rates. 相似文献
33.
D. Amutha Rani Y. Yamamoto S. Mohri M. Sivakumar Y. Tsujita H. Yoshimizu 《Journal of Polymer Science.Polymer Physics》2003,41(3):269-273
In this study, a novel stepwise extraction method has been examined. The guest molecules housed between the helices of the clathrate δ form of syndiotactic polystyrene can be removed completely with this method. A systematic study of the preparation of a solvent‐free mesophase (emptied clathrate) membrane, its helical and residual solvent contents, and its structural transformations has been performed. In this first attempt, an enhancement in the TTGG helical content has been observed in the extracted membrane, and a conceptual mechanism is proposed. © 2002 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 41: 269–273, 2003 相似文献
34.
35.
The title compound is a centrosymmetric dimer with each cadmium in a distorted CdS5 square pyramidal geometry. The Cd–S bond distances range from 2.5626(11) to 2.8459(11) Å. Copyright © 2004 John Wiley & Sons, Ltd. 相似文献
36.
R. Hefelmann P. Mann A. Aignan F. Filsinger und H. Amsel 《Fresenius' Journal of Analytical Chemistry》1902,41(1):66-68
Ohne Zusammenfassung 相似文献
37.
J. M. Martínez‐Burgos R. Benavente E. Prez M. L. Cerrada 《Journal of Polymer Science.Polymer Physics》2003,41(11):1244-1255
Several composites were prepared on the basis of an ethylene homopolymer and different copolymers of ethylene and 1‐hexene, synthesized with a metallocene catalyst, as matrices and a content of a 5 wt % of short glass fiber. The effect of the fiber incorporation on the structure and mechanical and viscoelastic behaviors was analyzed for the different samples. The glass fibers induced a slightly higher crystallinity, and the crystallite morphology significantly changed (long spacings and crystal orientation). The incorporation of fibers did not reinforce the different matrices under study at this low content; consequently, the mechanical parameters, such as Young's modulus, yielding stress, and microhardness, were lower in the composites as compared with those values found in the neat polyolefins. The location and apparent activation energies of distinct relaxation processes are also discussed. © 2003 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 41: 1244–1255, 2003 相似文献
38.
M. Ohsaki 《Archive of Applied Mechanics (Ingenieur Archiv)》2003,73(3-4):241-251
Summary Characteristics of optimal solutions under nonlinear buckling constraints are investigated by using a bar-spring model. It is demonstrated that optimization under buckling constraints of a symmetric system often leads to a structure with hill-top branching, where a limit point and bifurcation points coincide. A general formulation is derived for imperfection sensitivity of the critical load factor corresponding to a hill-top branching point. It is shown that the critical load is not imperfection-sensitive even for the case where an asymmetric bifurcation point exists at the limit point. 相似文献
39.
Monika Goikoetxea María J. Barandiaran José M. Asua 《Journal of polymer science. Part A, Polymer chemistry》2007,45(24):5838-5846
The mechanisms involved in the formation of n‐butanol during the synthesis of butyl acrylate containing latices were investigated. The experimental results showed that neither the hydrolysis of butyl acrylate nor of the ester bond in the butyl acrylate segments of the polymer played a major role in the formation of n‐butanol, which was mainly generated from the polymer backbone, by transfer reactions to polymer chain followed by cyclization. © 2007 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 45: 5838–5846, 2007 相似文献
40.
C. Foces‐Foces M. Lpez‐Rodríguez C. Prez 《Acta Crystallographica. Section C, Structural Chemistry》2008,64(2):o95-o97
The title compound, C12H21NO3, crystallizes in two polymorphic forms, viz. the tetragonal form described here and the monoclinic form described previously [Foces‐Foces, López‐Rodríguez, Pérez, Martín & Pérez‐Hernández (2007). Cryst. Growth Des. 7 , 905–911]. The differences in the conformations of the hydroxymethyl and methylaminocarbonyl substituents have important consequences in the hydrogen‐bond interaction motifs and, therefore, in the packing arrangements. These forms are concomitant polymorphs with melting points differing by 3 K. 相似文献