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柴油烃类分子组成预测研究 被引量:1
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作者 王佳 焦国凤 +2 位作者 孟繁磊 周祥 郭锦标 《计算机与应用化学》 CAS 2015年第6期707-711,共5页
建立了利用宏观物性数据对柴油烃类组成进行预测的方法,根据对柴油烃类组分的分析和各烃类组分的物性差异,选取分属正构烷烃、异构烷烃、环烷烃和芳烃4个族的168个真实组分来表示柴油的组成,建立了柴油组分表示模板。建立了柴油各宏观... 建立了利用宏观物性数据对柴油烃类组成进行预测的方法,根据对柴油烃类组分的分析和各烃类组分的物性差异,选取分属正构烷烃、异构烷烃、环烷烃和芳烃4个族的168个真实组分来表示柴油的组成,建立了柴油组分表示模板。建立了柴油各宏观物性与组成之间的关联关系,利用柴油常用宏观物性:密度、折射率、十六烷值、分子量以及恩式蒸馏曲线等数据建立方程组,对该方程组求解得到各个组分的含量。结果表明,计算得到的柴油饱和烃组成分布与烃组成分析结果较为吻合,误差在5%以下;三环环烷烃和芳烃的误差相对较大,并对产生误差的原因进行了分析。所建立的方法基本可以对直馏柴油烃类组成进行预测。 展开更多
关键词 柴油 组分模板 宏观物性 预测
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Template-directed assembly of pentacene molecules on epitaxial graphene on Ru(0001) 被引量:4
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作者 Haitao Zhou Lizhi Zhang +6 位作者 Jinhai Mao Geng Li Yi Zhang Yeliang Wang Shixuan Du Werner A. Hofer Hong-Jun Gao 《Nano Research》 SCIE EI CAS CSCD 2013年第2期131-137,共7页
The template-directed assembly of planar pentacene molecules on epitaxial graphene grown on Ru(0001) (G/Ru) has been investigated by means of low-temperature scanning tunneling microscopy (STM) and density funct... The template-directed assembly of planar pentacene molecules on epitaxial graphene grown on Ru(0001) (G/Ru) has been investigated by means of low-temperature scanning tunneling microscopy (STM) and density functional theory (DFT) calculations. STM experiments find that pentacene adopts a highly selective and dispersed growth mode in the initial stage. By using DFT calculations including van der Waals interactions, we find that the configuration with pentacene adsorbed on face-centered cubic (fcc) regions of G/Ru is the most stable one, which accounts for the selective adsorption at low coverage. Moreover, at high coverage, we have successfully controlled the molecular assembly from amorphous, local ordering, to long-range order by optimizing the deposition rate and substrate temperature. 展开更多
关键词 graphene Ru(0001) PENTACENE SELF-ASSEMBLY scanning tunnelingmicroscopy (STM) density functionaltheory (DFT)
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Analytical model for ultimate loading capacities of continuous composite slabs with profiled steel sheets 被引量:1
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作者 WANG YuHang NIE JianGuo 《Science China(Technological Sciences)》 SCIE EI CAS CSCD 2015年第11期1956-1962,共7页
Composite slabs with profiled steel sheet are widely applied in practical structures now. Plenty of literatures can be available about simply supported composite slabs with single span. However, continuous slabs alway... Composite slabs with profiled steel sheet are widely applied in practical structures now. Plenty of literatures can be available about simply supported composite slabs with single span. However, continuous slabs always exist in high-rise building structures. In order to obtain the ultimate loading capacity of continuous composite slabs, the full scale test on slab specimens with high cost need to be carried out. This paper presented an analytical model for calculating the ultimate loading capacity of continuous composite slabs. Only the small-scale slide block test needed to be carried out for determining some mechanical parameters, resulting in less cost, compared with the conventional m-k test method. Various load conditions and parameters were considered in the analytical model. The comparison between test results and predicted results showed that the proposed method had enough precision. Furthermore, the simplified method was also proposed for practical design. 展开更多
关键词 continuous composite slab profiled steel sheet loading capacity iterative solution
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Self-assembled supramolecular networks at interfaces: Molecular immobilization and recognition using nanoporous templates 被引量:4
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作者 LI Min ZENG QingDao WANG Chen 《Science China(Physics,Mechanics & Astronomy)》 SCIE EI CAS 2011年第10期1739-1748,共10页
In this review a series of organic-based open porous networks are discussed, in which hydrogen bonds play an important role in network formation. Using these open networks as molecular templates: 1) a wealth of functi... In this review a series of organic-based open porous networks are discussed, in which hydrogen bonds play an important role in network formation. Using these open networks as molecular templates: 1) a wealth of functional guest species can be immo- bilized; 2) fullerene molecules can be separated and recognized; 3) photoisomerization reactions can be observed by STM; 4) 1D molecular arrays can be constructed; and 5) heterogeneous bilayer structures can be formed. It is envisioned that these su- pramolecular networks might be developed into a new family of useful soft frameworks for studies toward shape-selective ca- talysis, molecular recognition and host-guest supramolecular chemistry. 展开更多
关键词 supramolecular networks molecular recognition scanning tunneling microscopy SELF-ASSEMBLY
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Polystyrene-based blend nanorods with gradient composition distribution 被引量:2
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作者 WU Hui SU ZhaoHui +1 位作者 TERAYAMA Yuki TAKAHARA Atsushi 《Science China Chemistry》 SCIE EI CAS 2012年第5期726-734,共9页
The polystyrene-based polymer blends, partially miscible poly(bisphenol A carbonate)/polystyrene (PC/PS) and completely miscible poly(2,6-dimethylphenylene oxide)/polystyrene (PPO/PS), in nanorods with gradient compos... The polystyrene-based polymer blends, partially miscible poly(bisphenol A carbonate)/polystyrene (PC/PS) and completely miscible poly(2,6-dimethylphenylene oxide)/polystyrene (PPO/PS), in nanorods with gradient composition distribution were discussed. The polymer blend nanorods were prepared by infiltrating the polymer blends into nanopores of anodic aluminum oxide (AAO) templates via capillary action. Their morphology was investigated by micro-Fourier transform infrared spectroscopy (micro-FTIR) and nano-thermal analysis (nano-TA) with spatial resolution. The composition gradient of polymer blends in the nanopores is governed by the difference of viscosity and miscibility between the two polymers in the blends and the pore diameter. The capillary wetting of porous AAO templates by polymer blends offers a unique method to fabricate functional nanostructured materials with gradient composition distribution for the potential application to nanodevices. 展开更多
关键词 NANORODS gradient composition distribution polymer blends anodic aluminum oxide micro-FTIR nano-TA
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