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排序方式: 共有2139条查询结果,搜索用时 264 毫秒
61.
Sahra Balilehvand Seyed Majid Hashemianzadeh SeyedehSaleheh Razavi Hedayat Karimi 《Adsorption》2012,18(1):13-22
A combination of ab initio quantum mechanical (QM) calculations and canonical Monte Carlo (CMC) simulations are employed to
investigate possible usage of single-walled silicon nanotubes (SWSiNTs) as a novel media for hydrogen and methane adsorption
as well as their separation from each other. By fitting the force field, a Morse potential model is selected as an efficient
potential to describe the binding energies between both hydrogen-SiNTs and methane-SiNTs obtained from ab initio calculations.
Then CMC simulations are performed to evaluate the adsorption and separation behaviors of H2 and CH4 on the three different sizes of SiNTs including (5, 5), (7, 7), and (9, 9) SiNTs at ambient temperatures and pressures from
1 up to 10 MPa. As a comparison, the adsorption and separation of H2 and CH4 on the (8, 8) CNTs which are isodiameter with (5, 5) SiNTs are also simulated. Results are indicative of remarkable enhancement
of H2 and CH4 adsorption capacity on the SiNTs compared to the CNTs, which arise from stronger van der Waals (VDW) attractions. In the
case of methane adsorption on SiNTs, the stored volumetric energy exceeds the goal of the US Freedom CAR Partnership by 2010,
which can not be achieved by methane compression at such low pressures. Moreover, simulation results indicate that SiNTs preferentially
adsorb methane relative to hydrogen in their equimolar mixture, which results in efficient separation of these gases from
each other at 293 K. 相似文献
62.
63.
Bahador Abolpour Benafsheh Abolpour Roozbeh Abolpour Hossein Bakhshi 《Research on Chemical Intermediates》2013,39(2):707-719
Concrete mix design is a process of proportioning the ingredients in right proportions. The aim of this study is to design a fuzzy logic model for determination of the compressive strength of a concrete. The datasets which have been loaded into a fuzzy logic model contain 1,030 concrete mixtures. Input fields of the fuzzy expert system are weight percent of cement, water, blast furnace slag, fly ash, super plasticizer, fine aggregate, coarse aggregate, and age of the concrete. Output field is concrete compressive strength. Finally, 897 rules used for this fuzzy logic modeling. 相似文献
64.
Kioumars Aghapoor Hossein Reza Darabi Kourosh Tabar-Heydar 《Phosphorus, sulfur, and silicon and the related elements》2013,188(5):1183-1187
On the benzyl system, bearing various functional groups, have been carried out the Willgerodt-Kindler reaction to obtain thiobenzmorpholide ( 1 ). The reactions, under solvent-free conditions, were performed in both classical (reflux, room temperature) and nonclassical (microwave) conditions to attempt our elucidation of the reactions pathways. Unlike benzylamine and benzyl mercaptan, benzyl halides give poor result due to the type of amine. The experimental results suggest that the proposed reaction pathway involves the oxidation coupling of benzylic substrates, followed by a thiolation step and an attack of the amine on the thiolated product to give ( 1 ). 相似文献
65.
We have designed and proposed the edge modes supported by graphene ribbons and the planar band-pass filter consisting of graphene ribbons coupled to a graphene ring resonator by using the finite-difference time-domain numerical method.Simulation results show that the edge modes improve the electromagnetic coupling between devices. This structure works as a novel, tunable mid-infrared band-pass filter. Our studies will benefit the fabrication of planar, ultra-compact nano-scale devices in the mid-infrared region. A power splitter consisting of two output ribbons that is useful in photonic integrated devices and circuits is also designed and simulated. These devices are useful for designing ultra-compact planar devices in photonic integrated circuits. 相似文献
66.
Synthesis and characterization of a Ni nanoparticle stabilized on Ionic liquid‐functionalized magnetic Silica nanoparticles for tandem oxidative reaction of primary alcohols 下载免费PDF全文
Rahim Hosseinzadeh‐Khanmiri Yaser Kamel Zahra Keshvari Ahmad Mobaraki Gholam Hossein Shahverdizadeh Esmail Vessally Mirzaagha Babazadeh 《应用有机金属化学》2018,32(9)
In this research, preparation of the magnetic nanoparticle, coating by a silica shell using (3‐aminopropyl) triethoxysilane and synthesis of a novel sulfonic acid‐substituted imidazolium‐based ionic liquid onto the surface of these particles via a multi‐component reaction, is described. The functionalized nanoparticles was loaded by Ni nanoparticles and characterized by means of techniques such as XRD, FTIR, SEM, EDX, TEM, TGA and ICP‐OES. The nanostructures have spherical shapes that ranged in size from 80 to 100 nm. The catalytic activity of these nanoparticles was tested in aerobic oxidation of primary alcohols that showed good performance in the wide range of primary alcohols in water at mild reaction conditions. As a second step of this work, the tandem oxidative synthesis of alkylacrylonitriles and bisindolylmethanes were investigated using primary alcohols under oxidation conditions. This catalyst system can be recovered using external magnet and reused for five consecutive cycles without significantly less of its activity. 相似文献
67.
A new characteristic approach for incompressible thermo‐flow in Cartesian and non‐Cartesian grids 下载免费PDF全文
A virtual‐characteristic approach is developed for thermo‐flow with finite‐volume methodology in which a multidimensional characteristic (MC) scheme is applied along with artificial compressibility. To obtain compatibility equations and pseudo‐characteristics, energy equation is taken into account in the MC scheme. With this inherent upwinding of convective fluxes, no artificial viscosity is required even at high Reynolds numbers. Another remarkable advantage of the MC scheme lies in its faster convergence rate with respect to the averaging scheme that is found to exhibit substantial delays in convergence. As benchmarks, forced and mixed convections in a cavity and in flow over cylinder and between parallel plates are examined for a wide range of Reynolds, Grashof, and Prandtl numbers. The MC and averaging schemes are applied for simulation purposes. Results show the better performance of the MC scheme in forced and mixed convections. Results confirm the robustness of the MC scheme in terms of accuracy and convergence. Copyright © 2015 John Wiley & Sons, Ltd. 相似文献
68.
Farhad Shirini Nader Ghaffari Khaligh Gholam Hossein Imanzadeh Parisa Ghods Ghasem-Abadi 《中国化学快报》2012,23(10):1145-1148
1,3-Dibromo-5,5-dimethylhydantoin,has been used as an efficient catalyst for the synthesis of 14-aryl-14H-dibenzo[a,j]xanthenes in the presence of kaolin.All reactions are performed in the absence of solvent in relatively short reaction times in good to high yields. 相似文献
69.
In this article we introduce an ordinary differential equation associated to the one parameter family of Calabi–Yau varieties which is mirror dual to the universal family of smooth quintic three folds. It is satisfied by seven functions written in the q-expansion form and the Yukawa coupling turns out to be rational in these functions. We prove that these functions are algebraically independent over the field of complex numbers, and hence, the algebra generated by such functions can be interpreted as the theory of (quasi) modular forms attached to the one parameter family of Calabi–Yau varieties. Our result is a reformulation and realization of a problem of Griffiths around seventies on the existence of automorphic functions for the moduli of polarized Hodge structures. It is a generalization of the Ramanujan differential equation satisfied by three Eisenstein series. 相似文献
70.
Nonlinear Dynamics - In this paper, the dynamic stability of a simply supported beam excited by the transition of circulating masses is investigated by preserving nonlinear terms in the analysis.... 相似文献