排序方式: 共有63条查询结果,搜索用时 31 毫秒
31.
Ali Ahmadi Peyghan Mohammad T. Baei Saeedeh Hashemian 《Journal of Cluster Science》2013,24(1):341-347
Adsorption of hydrogen sulfide (H2S) on the external and internal surface of Zn12O12 nanocluster was studied by using density functional calculations. The results indicate that the H2S molecule is physically adsorbed or chemically dissociated by the nanocluster. It was found that the H2S molecule can dissociate into –H and–SH fragments, suggesting that the nanocluster might be a potential catalyst for dissociation of the H2S molecule. Also, dissociation of H2S to S species in internal surface of the Zn12O12 nanocluster is energetically impossible. The HOMO–LUMO energy gap of H2S dissociation configuration is changed about 27.68 %, indicating that the electronic properties of the nanocluster by dissociation process have strongly changed. 相似文献
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Fatemeh Pourasgharian Roudsari Mohammad Reza Mehrnia Akram Asadi Zohreh Moayedi Reza Ranjbar 《Applied biochemistry and biotechnology》2014,172(1):131-140
In this work, capability of the green microalga (MA), Chlorella vulgaris, in treating synthetic anaerobic effluent of municipal wastewater was investigated. While pure C. vulgaris (100 % MA) provided maximum soluble chemical oxygen demand (sCOD) and N???NH 4 + removal efficiencies of 27 and 72 % respectively, addition of activated sludge (AS) to MA in different mass ratios (91, 80, 66.7, 9 % MA) improved wastewater treatment efficiency. Thus giving maximum sCOD and N???NH 4 + removal efficiencies 85 and 86.3 % (for MA/AS?=?10/1), respectively. Utilizing AS without C. vulgaris, for treating the synthetic wastewater resulted in 87 % maximum sCOD and 42 % maximum N???NH 4 + removal efficiencies. Furthermore, algal growth and specific growth rates were measured in the systems with microalga as the dominant cellular population. As a result, faster algal growth was observed in mixed systems. Specific growth rate of C. vulgaris was 0.14 (day?1) in 100 % MA and 0.39 (day?1) in 80 % MA. Finally, data gathered by online measurement of dissolved oxygen indicate that algae-activated sludge mixture improves photosynthetic activity of examined microalga strain during anaerobic effluent treatment. 相似文献
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Saeedeh Sepehrikia Donya Arefi Alireza Shams 《Russian Journal of Physical Chemistry A, Focus on Chemistry》2014,88(13):2462-2465
Fluorescence quantum yield of two novel compounds—dibenzo[c,k]-1,2-dithia-6,9-diazacyclododecane-5,10-dione (1) and dibenzo[c,k]-1,2-dithia-6,9-diaza-7-methylcyclododecane-5,10-dione (2) was studied by Williams method using anthracene as a reference. 相似文献
34.
Ali Ahmadi Peyghan Mohammad T. Baei Parviz Torabi Saeedeh Hashemian 《Phosphorus, sulfur, and silicon and the related elements》2013,188(9):1172-1177
Abstract Thiophene adsorption on pristine (6,0) aluminum nitride nanotubes was studied by using density functional theory calculations, by means of B3LYP and M06-L functionals. We present the nature of the thiophene interaction in different sites of the nanotube. Adsorption energies corresponding to adsorption of thiophene are calculated to be in the range ?18.90 to ?21.06 kJ mol? 1 . It has been shown that the thiophene molecule has a weak physical adsorption on the pristine models due to weak Van der Waals interaction between the nanotubes and thiophene molecule. The charge transfer between thiophene and the AlNNT is minimal and the electronic properties of the nanotubes are not affected by the thiophene adsorption. Also, with change of tube type, more efficient binding could not be achieved. The results indicate that transition metal nanoclusters are more suitable catalyst with respect to nontransition metal nanotubes in the petroleum industry. 相似文献
35.
Negin S Daschbach MM Kulikov OV Rath N Gokel GW 《Journal of the American Chemical Society》2011,133(10):3234-3237
Pyrogallolarenes are tetrameric macrocycles that form from 1,2,3-trihydroxybenzene and aldehydes under acidic conditions. When 2-ethylbutanal or 2-propylpentanal was so treated, the branched-chain pyrogallolarenes crystallized as nanotubes or bilayers, respectively. When the behavior of each compound was assessed by using the planar bilayer conductance method, pore formation was observed. The properties of the pores were significantly different from each other, probably reflecting different types of pore organization within the membrane. 相似文献
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Numerical simulations of Sandia Flame D are presented using Reynolds-averaged formulations plus a two equation turbulence model for the flow and mixing fields and a first order Conditional Moment Closure for the flame model. The distributions of probability and Conditional Scalar Dissipation (CSD) in mixture fraction space are modeled first using a Beta PDF (Probability Distribution Function) plus a theoretical model for CSD and then using the consistent, Presumed Mapping Function-based formulation of Mortensen for both PDF and CSD, in both two and three stream mixing modes. It is shown that there is an improvement in predictions compared with experiment when using the consistent models. 相似文献
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Mass magnetization of magnetite nanoparticles was enhanced by disassembling and encapsulating their building nano‐crystallites with water‐soluble starch. Incorporation of iodine into the as‐prepared nano‐conglomerate led to formation of a ternary nano‐complex and further enhancement of its superparamagnetic susceptibility. As an additional evidence for the anomalously heightened superparamagnetic property, the ternary nano‐complex showed lower magnetic remanence and coercivity than the pristine magnetite it was made from. These findings were ascribed to significant changes in, at least, size of the magnetite nano‐crystallites during formation of the nano‐composite. A significant enhancement was also observed in the catalytic efficiency of the nano‐composite, as was successfully exemplified in the synthesis of some novel spiro[oxindole‐dihydropyridine]s via a three‐component reaction between isatins, furan‐2,4(3H,5H)‐dione and aminouracils ‘on water’. 相似文献
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Nitrous oxide adsorption on the pristine(6,0) magnesium oxide nanotube was studied by using density functional theory calculations.We present the nature of the N2O interaction in selected sites of the nanotube.Adsorption energies corresponding to adsorption of the N2O on the nanotube were calculated to be in the range -11.67 to -22.21 kJ mol-1.Our results indicate that the N2O molecule has a weak physical adsorption on the pristine models due to weak Van der Waals interaction between the nanotubes and N2O molecule.The important results can be useful in production of the N2O sensors. 相似文献