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1.
Mehdi Dehghan 《Numerical Methods for Partial Differential Equations》2002,18(2):193-202
Developement of numerical methods for obtaining approximate solutions to the three dimensional diffusion equation with an integral condition will be carried out. The numerical techniques discussed are based on the fully explicit (1,7) finite difference technique and the fully implicit (7,1) finite difference method and the (7,7) Crank‐Nicolson type finite difference formula. The new developed methods are tested on a problem. Truncation error analysis and numerical examples are used to illustrate the accuracy of the new algorithms. The results of numerical testing show that the numerical methods based on the finite difference techniques discussed in the present article produce good results. © 2002 Wiley Periodicals, Inc. Numer Methods Partial Differential Eq 18: 193–202, 2002; DOI 10.1002/num.1040 相似文献
2.
Preliminary results on the mechanical, optical and electrical properties of composite gel electrolytes (CGEs) with fumed silica
(SiO2) as a filler added to gel polymeric electrolyte (GPE) based on PMMA, LiCF3SO3 and PC are presented in this paper. Added fumed silica is seen to enhance the mechanical properties of the GPE without changing
the conductivity significantly. The high ionic conductivity (×10−3 S/cm), high transmission in the visible region and nominal variance of conductivity and viscosity over a wide temperature
window show that these CGEs are potential electrolytes for electrochromic windows (ECWs). 相似文献
3.
Alain Estve Adeline Bail Georges Landa Ahmed Dkhissi Marie Brut Mehdi Djafari Rouhani Jan Sudor Anne-Marie Gu 《Chemical physics》2007,340(1-3):12-16
Possible collapsed forms of poly(N-isopropylacrylamide) molecules are reviewed on the basis of first principle calculations. Various configurations and associated conformations are detailed. The calculated optimized structures exhibit different possibilities of creating networks of intra-molecular bonds of the hydrogen type. We show that the most remarkable one is able to form a local, self-saturated and well ordered helix. We also indicate in which direction the synthesis of the molecule should be oriented to improve its global behavior in term of hydrophobic/hydrophilic behavior. 相似文献
4.
This paper is devoted to investigating the teleparallel versions of the Friedmann models as well as the Lewis–Papapetrou solution. We obtain the tetrad and the torsion fields for both spacetimes. It is shown that the axial-vector vanishes for the Friedmann models. We discuss the different possibilities for the axial-vector, depending on the arbitrary functions ω and ψ in the Lewis–Papapetrou metric. The vector related to spin has also been evaluated. 相似文献
5.
Huang F Switek KA Zakharov LN Fronczek FR Slebodnick C Lam M Golen JA Bryant WS Mason PE Rheingold AL Ashraf-Khorassani M Gibson HW 《The Journal of organic chemistry》2005,70(8):3231-3241
Four new bis(m-phenylene)-32-crown-10-based cryptands with different third bridges were prepared. Their complexes with paraquat derivatives were studied by proton NMR spectroscopy, mass spectrometry, and X-ray analysis. It was found that these cryptands bind paraquat derivatives very strongly. Specifically, a diester cryptand with a pyridyl nitrogen atom located at a site occupied by either water or a PF(6) anion in analogous complexes exhibited the highest association constant K(a) = 5.0 x 10(6) M(-1) in acetone with paraquat, 9000 times greater than the crown ether system. X-ray structures of this and analogous complexes demonstrate that improved complexation with this host is a consequence of preorganization, adequate ring size for occupation by the guest, and the proper location of the pyridyl N-atom for binding to the beta-pyridinium hydrogens of the paraquat guests. This readily accessible cryptand is one of the most powerful hosts reported for paraquats. 相似文献
6.
New mixed-ligand copper(I) complexes, [Cu(Phca2en)(PPh3)X], [Phca2en = N,N′-bis(β-phenylci-nnamaldehyde)-1,2-diiminoethane and X=Cl (1), Br (2), I (3), NCS (4), N3 (5)] have been synthesized and characterized by various techniques. 1H and 13C-NMR and IR spectral data of these copper(I) complexes are compared with the free ligand to elucidate some structural features. The structures of [Cu(Phca2en)(PPh3)Br] (2) and [Cu(Phca2en)(PPh3)I] (3) have been determined from single-crystal data showing that the coordination geometry around copper atom is a distorted tetrahedron. Furthermore, these Cu(I) complexes exhibit supramolecular motifs of the type multiple phenyl embraces resulting from attractive interactions between phenyl rings of PPh3 moieties. The presence of the C–H…Cu weak intramolecular hydrogen bonds, due to the trapping of C–H bonds in the vicinity of the metal atoms, is also reported. 相似文献
7.
8.
The GC-MS characterization of the ethylchloroformate derivatives of amino acids in an aqueous medium has been applied to non-protein amino acids. Derivatization of non-protein amino acids using ethylchloroformate, trifluoroethanol, and pyridine produced strong [M + 1]+ and [M - 1]− ions in positive and negative chemical ionization (CI) modes, respectively. Twenty-one out of the twenty-three non-protein amino acids studied produced detectable ion chromatograms in both ionization modes when methane was used as the CI reagent gas. Mass spectra of these non-protein amino acid derivatives showed characteristic [M - 19]+, [M + 1]+, [M + 29]+, and [M + 41]+ peaks in the positive chemical ionization mode, and [M - 1]−, and [M + 35]− peaks in the negative chemical ionization mode. The detection limits and the linear dynamic range of trifluorethanol ethylchloroformate derivatives of non-protein amino acids were studied using positive chemical ionization. The detection limits are mostly in the femtomole range. 相似文献
9.
Structural Chemistry - In this study, density functional theory (DFT) was employed to predict thermochemical and energetic properties for single-walled carbon nanotubes (SWCNTs) decorated with one... 相似文献
10.
Zare Abdolkarim Atashrooz Jaleh Eskandari Mohammad Mehdi 《Research on Chemical Intermediates》2021,47(4):1349-1358
Research on Chemical Intermediates - A nanorod-structured organic–inorganic hybrid material namely nanorod-[SiO2–Pr–Im–SO3H][CF3CO2] (N-[SPIS][TFA]) has been applied as a... 相似文献