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81.
Jon Samseth Richard J. Spontak Kell Mortensen 《Journal of Polymer Science.Polymer Physics》1993,31(4):467-474
Poly(siloxaneimide) (PSI) segmented copolymers exhibit organized microdomains if the blocks are sufficiently incompatible. As with neat diblock and triblock copolymers, the processing route employed to prepare films of PSI materials is expected to influence the dimensions and/or morphology of the resultant microstructure. In this work, small-angle neutron scattering (SANS) is utilized to characterize the disordered microstructure found in films of a series of PSI copolymers which are subjected to solvent casting and various thermal treatments. Microstructural dimensions such as the periodicity and correlation length are deduced from the Teubner-Strey (TS) model for disordered microemulsions. The scattering intensity of each copolymer up to q = 5.0 nm?1, where q is the scattering vector, is found to scale as q?2.8+?0.1. Results indicate that processing the materials as cast films or as melt-pressed films allowed to cool slowly has a small, but discernible, effect on microstructural characteristics. SANS profiles of films quenched from elevated temperatures reveal a clear transition in microdomain periodicity, which correlates well with the glass transition temperature of the imide microphase in these and other materials of similar chemical structure. © 1993 John Wiley & Sons, Inc. 相似文献
82.
For structural parameters with uncertainties, interval mathematics can, in the case where the probabilistic distribution density
of uncertain variables is unavailable, deal with the influence of uncertainties in structural parameters on the response of
structures. In order to evaluate the region containing natural frequencies of structures with interval parameters, the interval
parameter perturbation method is presented in this paper. The advantage of the present method is its computational efficiency
in evaluating the region containing natural frequencies. A numerical example is used to illustrate the efficiency of the method
proposed.
The project is supported by National Youth Natural Science Foundation of China and National Outstanding Youth Science Foundation
of China. 相似文献
83.
N. C. Handy 《Theoretical chemistry accounts》1973,31(3):201-204
Boys and Handy [1] have discussed the solution of the bivariational equations with restricted numerical integration. One of the weaknesses of the method was that in the numerical summations over points, some points arose with r
ij= 0 and non-zero weights. This makes the method quite impractical for the Schrodinger Hamiltonian (because of the singularity at r
ij= 0), and it cannot be advantageous for the transcorrelated Hamiltonian C–1HC because there will be some discontinuous higher derivatives at r
ij=0. Here it is shown how the symmetry of cylindrically symmetric molecules can be used to eliminate such points, without losing any of the advantages of the overall method, such as the convergence of the eigensolutions. It is also shown how the primary numerical integration points (z
i, ri) may be chosen in any calculation such that each is associated with an equal amount of one-electron density. The choice of the angular coordinates are governed by the removal of the r
ij=0 points and maintaining the natural orthogonality between orbitals of different symmetry types. The method has been programmed and found to be practical, although no new molecular calculations have yet been performed. It is to be hoped that these points will give a basis for new transcorrelated calculations on diatomic molecules.This paper was presented during the session on numerical integration methods for molecules of the 1970 Quantum Theory Conference in Nottingham. It has been revised in the light of the interesting discussion which followed. 相似文献
84.
A bound is given for the average length of a lexicographic path, a definition that is motivated by degeneracies encountered when using the randomized simplex method. 相似文献
85.
86.
Gary W. Schnuelle S. Swaminathan David L. Beveridge 《Theoretical chemistry accounts》1978,48(1):17-27
A theoretical study of ion hydration using the statistical thermodynamic supermolecule-continuum method is described. The cell and shell methods are used for configurational averaging. Enthalpies, free energies and entropies are calculated for Li+, Na+, K+, F– and Cl– each four coordinated with water. The results are in reasonable accord with experiment. A comparison of the site method, cell method and shell method results is presented. The supermolecule-continuum approach to solvent effects seems to be capable of accommodating essential features for the calculation of solvation energy and solvent effects on structure and properties. 相似文献
87.
Turevskaya E.P. Berdyev D.V. Turova N.Ya. 《Journal of Sol-Gel Science and Technology》1997,8(1-3):111-115
Complex formation in solutions of barium and zirconium alkoxides in ROH (R=i-Pr, Et) was studied. A number of bimetallic complexes were isolated, and their structure and properties were studied. The
sol-gel method yields a single-phase BaZrO3 powder only wheni-PrOH solutions of the alkoxides are used. In this case, the oxocomplex, BaZrO(OPr-i)4.(1–2)i-PrOH, is the precursor of the mixed oxide. 相似文献
88.
A.A. FilaretovM.G. Zhizhin L.N. KomissarovaV.P. Danilov V.V. ChernyshevB.I. Lazoryak 《Journal of solid state chemistry》2002,166(2):362-368
A new ammonium indium phosphate (NH4)In(OH)PO4 was prepared by hydrothermal reaction in the In2O3-NH4H2PO4-NH3/OH system (T=200°C, autogenous pressure, 7 days). The formula (NH4)In(OH)PO4 was determined on the basis of chemical and thermal analysis (TG/DSC), X-ray powder diffraction and IR-spectroscopy. (NH4)In(OH)PO4 crystallizes in the tetragonal system with space group P43212 (No. 96); a=9.4232(1) Å, c=11.1766(1) Å, V=992.45(2) Å3; Z=8. The crystal structure was refined by the Rietveld method (Rw=6.35%, Rp=5.10%). The second-harmonic generation study confirmed that structure of (NH4)In(OH)PO4 does not have a center of symmetry. The cis-InO4(OH)2 octahedra form helical chains, parallel to the c-axis. The In-O-In bonds are nearly equidistant. The chains are interconnected by phosphate tetrahedra and create tunnels containing the NH4+ ions along the c-axis. (NH4)In(OH)PO4 is isostructural with RbIn(OH)PO4. 相似文献
89.
H. Kienitz 《Angewandte Chemie (International ed. in English)》1969,8(10):733-750
The important advances being made in modern analytical methods are indicative of the fundamental changes that are occuring in the theory and practice of “analytical chemistry”. “Information optimization” demands a new approach in teaching and research, and calls for the intergration of chemistry with other scientific and technical disciplines. 相似文献
90.