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水合单核铝到二聚铝形态的键合水分子活性变化研究
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作者 金晓艳 林玲 +2 位作者 王林玉 钱佳佳 蒋雪月 《阜阳师范学院学报(自然科学版)》 2017年第4期29-34,共6页
采用密度泛函方法研究了水溶液中单核铝形态和二聚铝形态中键合水分子的活性。计算结果表明,单核铝发生聚合形成二聚铝形态导致键合水分子的活性明显增加。对单核铝而言,水解和氟离子取代均会增加水分子的活性,而对于二聚铝形态,由于羟... 采用密度泛函方法研究了水溶液中单核铝形态和二聚铝形态中键合水分子的活性。计算结果表明,单核铝发生聚合形成二聚铝形态导致键合水分子的活性明显增加。对单核铝而言,水解和氟离子取代均会增加水分子的活性,而对于二聚铝形态,由于羟桥和分子内氢键的出现,水解和氟离子取代对活性无明显影响。该结果为进一步揭示铝形态的水解聚合机制提供了重要的动力学参数。 展开更多
关键词 密度泛函 单核铝 二聚铝 键合水分子活性
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聚合物/水混合体系中水的状态和性质的研究 被引量:2
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作者 关岚 盛京 黄定海 《高分子通报》 CAS CSCD 北大核心 2010年第12期38-42,共5页
阐述了聚合物/水混合物中水的状态和性质。关于亲水聚合物水溶液中水的状态,目前存在两种模型,间断模型和连续模型。间断模型根据与聚合物相互作用力的强弱,认为混合体系中存在自由水,冷冻键合水和非冷冻键合水。连续模型则认为体系中... 阐述了聚合物/水混合物中水的状态和性质。关于亲水聚合物水溶液中水的状态,目前存在两种模型,间断模型和连续模型。间断模型根据与聚合物相互作用力的强弱,认为混合体系中存在自由水,冷冻键合水和非冷冻键合水。连续模型则认为体系中存在一种状态范围的水,它是介于与聚合物强相互作用的水和不受聚合物影响的水之间的一种连续的状态。介绍了混合体系中水产生反常性质的原因。由于亲水性聚合物材料的广泛应用,有必要对聚合物水溶液体系中不同状态水的含量与性质有更深入的了解。 展开更多
关键词 键合水 间断和连续模型
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风化过程中酸度对海泡石性能的影响
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作者 毛弘毅 梁舒 《中国非金属矿工业导刊》 1997年第S1期107-109,共3页
关键词 风化过程 失重率 脱色力 海泡石矿 键合水 赋存状态 风化程度 酸度 沸石 风化作用
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Calculation of hydrodynamics for semi-submersibles based on NURBS 被引量:1
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作者 任慧龙 刘文玺 《Journal of Marine Science and Application》 2008年第2期91-97,共7页
Accurate hydrodynamic calculations for semi-submersibles are critical to support modern rapid exploration and extraction of ocean resources. In order to speed hydrodynamic calculations, lines modeling structures were ... Accurate hydrodynamic calculations for semi-submersibles are critical to support modern rapid exploration and extraction of ocean resources. In order to speed hydrodynamic calculations, lines modeling structures were separated into structural parts and then fitted to Non-uniform Rational B-spline (NURBS). In this way, the bow and stern section lines were generated. Modeling of the intersections of the parts was then done with the universal modeling tool MSC.Patran. Mesh was gererated on the model in order to obtain points of intersection on the joints, and then these points were fitted to NURBS. Next, the patch representation method was adopted to generate the meshes of wetted surfaces and interior free surfaces. Velocity potentials on the surfaces were calculated separately, on basis of which the irregular frequency effect was dealt with in the calculation of hydrodynamic coefficients. Finally, the motion response of the semi-submersible was calculated, and in order to improve calculations of vertical motion, a damping term was affixed in the vertical direction. The results show that the above methods can generate fine mesh accurately representing the wetted surface of a semi-submersible and thus improve the accuracy of hydrodynamic calculations. 展开更多
关键词 splines surface fitting SEMI-SUBMERSIBLE irregular frequency
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Thermal-hydraulic modeling and analysis of hydraulic system by pseudo-bond graph 被引量:2
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作者 胡均平 李科军 《Journal of Central South University》 SCIE EI CAS CSCD 2015年第7期2578-2585,共8页
To increase the efficiency and reliability of the thermodynamics analysis of the hydraulic system, the method based on pseudo-bond graph is introduced. According to the working mechanism of hydraulic components, they ... To increase the efficiency and reliability of the thermodynamics analysis of the hydraulic system, the method based on pseudo-bond graph is introduced. According to the working mechanism of hydraulic components, they can be separated into two categories: capacitive components and resistive components. Then, the thermal-hydraulic pseudo-bond graphs of capacitive C element and resistance R element were developed, based on the conservation of mass and energy. Subsequently, the connection rule for the pseudo-bond graph elements and the method to construct the complete thermal-hydraulic system model were proposed. On the basis of heat transfer analysis of a typical hydraulic circuit containing a piston pump, the lumped parameter mathematical model of the system was given. The good agreement between the simulation results and experimental data demonstrates the validity of the modeling method. 展开更多
关键词 thermodynamics hydraulic system pseudo-bond graph piston pump modeling temperature simulation
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Crystal Structure of Chlorinate (N,N-1,3-Dibenzyl-benzimidazole) Hydrate
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作者 建方方 王焕香 +1 位作者 肖海连 刘光烨 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 北大核心 2003年第6期669-672,共4页
The structure of the title compound consisting of N,N-1,3-dibenzyl-benzimidazole ion, Cl- anion and hydrate was determined by X-ray diffraction method. It crystallizes in the triclinic system, space group P with a = 9... The structure of the title compound consisting of N,N-1,3-dibenzyl-benzimidazole ion, Cl- anion and hydrate was determined by X-ray diffraction method. It crystallizes in the triclinic system, space group P with a = 9.320(2), b = 9.850(2), c = 11.510(2) ? = 68.75(3), = 80.57(3), = 70.20(3)? C21H19ClN2H2O, Mr = 352.85, V = 925.6(3) 3, Z = 2, Dc = 1.266 g/cm3, F(000) = 372, = 0.217 mm-1, R = 0.0452 and wR = 0.1372. The total reflections were 3462 and 3244 (Rint = 0.0206) were independent, of which 1666 were observed with I > 2s(I). The planes of benzyl group are nearly perpendicular to each other. The water molecules with Cl-anions and C(8) atom are involved in hydrogen bonds and interactions, and - stacking interaction exists obviously between the adjacent phenyl and imidazole rings. The title complex forms a three-dimensional network throughout the structure through these hydrogen bonds and interactions. 展开更多
关键词 N N-1 3-dibenzylbenzimidazole crystal structure hydrogen bonds conformation
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Preparation of poly (N-isopropylacrylamide) brush bonded on silicon substrate and its water-based lubricating property 被引量:10
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作者 LIU YuHong XIAO YuQi LUO JianBin 《Science China(Technological Sciences)》 SCIE EI CAS 2012年第12期3352-3358,共7页
The poly (N-isopropylacrylamide) brush was covalently bonded on an initiator-coated silicon wafer via surface-initiated atom transfer radical polymerization. The polymer brush was (76.2±0.1) nm in thickness (by e... The poly (N-isopropylacrylamide) brush was covalently bonded on an initiator-coated silicon wafer via surface-initiated atom transfer radical polymerization. The polymer brush was (76.2±0.1) nm in thickness (by ellipsometer) with a grafting density of ca. 0.27 chains/nm 2 . The tribological properties of the poly (N-isopropylacrylamide) brush were investigated by means of ball-on-disk tests in a rotational mode under water lubrication for tribological application. The experimental results exhibited a low friction coefficient of ca. 0.03. The excellent lubrication property of the brush was due to its amide groups in the polymer chains. It was supposed that the good lubrication property of the brush was attributed to the cross-linked polymer network formed by the hydrogen bond association of N-H…O==C and the water molecular layer adsorbed by the terminal amide groups in the brush. The poly (N-isopropylacrylamide) solution also exhibits a lubrication property due to physical adsorption of the polymer chains. 展开更多
关键词 poly(N-isopropylacrylamide) brush surface-initiated atom transfer radical polymerization water-based lubricatingproperties
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