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Abstract: A conservative interface treatment for multi-block computation on structured quadrilateral grids using the space-time conservation element and solution element (CE/SE) method has been developed. In the CE/SE method, space and time are considered as a single entity, and both local and global flux conservation are preserved in the solution procedure. Thus, accurate and computationally-efficient numerical solutions can be achieved. However, if this method is applied to non-matching multi-block computational cases to evaluate the unsteadiness of the interaction, the space-time flux balance at the interface will be broken up. To resolve this problem, a novel technique is proposed for the exchange of information between the two sides of the interface. In this approach, Sub-conservation element, sub-solution element and local space-time conservation conditions near the interface can be established elaborately. Moreover, by taking full advantage of key concepts of the CE/SE method, it can enforce flux conservation across an interface between different blocks in a simple and efficient manner. Numerical experiments showed that, for a variety of flow problems involving oblique shock reflection, and laminar flow inside a lid-driven cavity, the interface treatment is valid to establish communications between two different blocks with preserving high-accuracy of CE/SE method and no discontinuity of any computed variable or pressure reflection occurred at this numerical interface. [Copyright &y& Elsevier]

Abstract: Nano-decanuclear cyclic Cr(III) complex, [Cr10(μ-O2CMe)10(μ-OMe)10(μ-OEt)10] (1), has been synthesized in high yield by solvothermal technique using trinuclear basic chromium acetate [Cr3O(CO2Me)6(MeOH)3]Cl in EtOH. Complex 1 crystallizes in the monoclinic space group P21/n. The Cr10 rings are close to planar, with each pair of neighboring Cr(III) ions bridged by one μ-acetate, one μ-ethoxide, and one μ-methoxide groups. Magnetic susceptibility studies reveal very weak antiferromagnetic Cr⋯Cr exchange of J =0.37cm−1 . [Copyright &y& Elsevier]

[Display omitted] • A novel multifunctional Cd-viologen coordination polymer has been synthesized. • The photochromic mechanism of 1 was investigated experimentally and theoretically. • Compound 1 has the ability to detect amines. • The photo-controlled luminescence properties of 1 has been explored. A novel coordination polymer, named [Cd(HCOO)(pbpy) 0.5 (bdc)(H 2 O)]·3H 2 O (1), based on a new flexible viologen ligand 1,1′-[1,4-phenylenebis(methylene)]-bis(4,4′-bipyridinium) dichloride (pbpy·2Cl), Cd(NO 3) 2 ·4H 2 O and terephthalic acid (H 2 bdc) was synthesized. Compound 1 has good photosensitive activity and can also respond to sunlight at room temperature. And using time-dependent density functional theory (TDDFT) to study the discoloration mechanism of compound 1. Attractively, 1 has the ability to select and detect amines due to the electron-deficient properties of pbpy·2Cl. In addition, photocontrolled luminescence properties of 1 , during the coloration-decoloration process, has been researched. [ABSTRACT FROM AUTHOR]

Abstract: The dimeric polyoxometalate Na5K7[{β-SiCo2W10O36(OH)2(H2O)}2] ·39.5H2O (1) was synthesized and characterized by elemental analysis, IR spectroscopy and thermal gravimetric analysis. A single-crystal X-ray analysis was carried out on the crystal (1) which crystallizes in the triclinic system, space group p ī, with a =13.231Å, b =20.170Å, c =21.513Å, α =62.964°, β =89.866°, γ =78.325° and Z =1. The polyanion (1) consists of two {β-SiCo2W10O36(OH)2(H2O)}6− Keggin moieties linked via two OH bridging groups, leading to a dimeric silicotungstate containing four cobalt ions. The experiment of antitumor activities in vitro shows that the title compound (1) exhibits remarkable inhibitory actions on liver cancer cells (SMMC-7721) and ovarian cancer cells (SK-OV-3). [Copyright &y& Elsevier]