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Arthur Greenberg Oleg P. Charkin Ralph H. Bartram István Hargittai Gyula Beke 《Structural chemistry》1992,3(3):221-224
Unsigned book reviews are by the Book Review Editor. 相似文献
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Please forward books for review to the book review editor: Magdolna Hargittai, Structural Chemistry Research Group of the Hungarian Academy of Sciences, Eötvös University, H-1431 Budapest, Pf. 117, Hungary 相似文献
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We couple a morphological study of an immiscible binary AB mixture with a micromechanical simulation to determine how the spatial distribution of the A and B domains and the interfacial region (interphase) affects the mechanical behavior of the blend. The morphological studies are conducted through a three-dimensional Cahn-Hilliard (CH) simulation. Through the CH calculations, we obtain the size and structure of the domains for different blend compositions. The output of the CH model serves as the input to the Lattice Spring Model (LSM), which consists of a three-dimensional network of springs. In particular, the location of the different phases is mapped onto the LSM lattice and the appropriate force constants are assigned to the LSM sites. A stress is applied to the LSM lattice and we calculate the elastic response of the material. We find that the local stress and strain fields are highly dependent on the morphology of the system. By integrating the morphological and mechanical models, we can isolate how modifications in the composition of the mixture affect the macroscopic behavior. Thus, we can establish how choices made in the components affect the ultimate performance of the material. 相似文献
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The molecular structure of 4,4′-sulfanidyl-bis-thiophenol (C12H10S3) has been determined by gas electron diffraction. Assuming identical geometry and D2h local symmetry for ---SC6H4S--- moieties, the following bond lengths (rg) and bond angles were obtained: C---H = 1.101 ± 0.005, S---H = 1.388 ± 0.019, (C---C)mean = 1.400 ± 0.003, (S---C)mean = 1.778 ± 0.004 Å, Car---S---Car = 103.5 ± 1.3, C---C(S)---C = 120.4 ± 0.3, C(H)---C(H)---H = 119.1 ± 0.9 and C---S---H = 94.6 ± 3.1°. Two ratational forms were found to reproduce the experimental data, characterized by dihedral angles of the benzene rings with respect to the CarSCar plane; 1 = 67.8 ± 2.0°, 2 = 4.5 ± 7.2°, and 1 = 69.4 ± 2.0δ, 2 = −26.6 ± 7.1°. Identical signs of 1 and 2 indicate that the two benzene rings are rotated in the same direction about the respective Scentral---C axes. 相似文献
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