排序方式: 共有83条查询结果,搜索用时 15 毫秒
21.
The kinetics of propane dehydrogenation and catalyst deactivation over Pt-Sn/Al2O3 catalyst were studied.Performance test runs were carried out in a fixed-bed integral reactor.Using a power-law rate expression for the surface reaction kinetics and independent law for deactivation kinetics,the experimental data were analyzed both by integral and a novel differential method of analysis and the results were compared.To avoid fluctuation of time-derivatives of conversion required for differential analysis,the conversion-time data were first fitted with appropriate functions.While the time-zero and rate constant of reaction were largely insensitive to the function employed,the rate constant of deactivation was much more sensitive to the function form.The advantage of the proposed differential method,however,is that the integration of the rate expression is not necessary which otherwise could be complicated or impossible.It was also found that the reaction is not limited by external and internal mass transfer limitations,implying that the employed kinetics could be considered as intrinsic ones. 相似文献
22.
Dodecatungstocobaltate heteropolyanion encapsulation into MIL‐101(Cr) metal–organic framework scaffold provides a highly efficient heterogeneous catalyst for methanolysis of epoxides 下载免费PDF全文
Afsaneh Marandi Shahram Tangestaninejad Majid Moghadam Valiollah Mirkhani Adam Mechler Iraj Mohammadpoor‐Baltork Farnaz Zadehahmadi 《应用有机金属化学》2018,32(2)
A heterogeneous catalyst was synthesized by encapsulation of a Keggin‐type heteropolytungstate, potassium dodecatungstocobaltate trihydrate, K5[CoW12O40]·(Co‐POM), into chromium(III) terephthalate (MIL‐101). Encapsulation was achieved via a ‘build bottle around ship’ strategy in aqueous media, following a hydrothermal method. The structure of the resulting crystalline solid was characterized using X‐ray diffraction, correlated with Fourier transform infrared and UV–visible spectroscopy. The metal content was analysed using optical emission spectroscopy. Transmission electron microscopy was used to measure particle size and N2 adsorption in a Brunauer–Emmett–Teller instrument to characterize the specific surface area. The catalytic activity was investigated using methanolysis of epoxides under mild conditions as a test reaction. The turnover frequency of the heterogeneous Co‐POM@MIL‐101 catalyst was more than 20 times higher than that of the homogeneous Co‐POM catalyst. The Co‐POM@MIL‐101 catalyst was reused several times with negligible leaching of Co‐POM and with no considerable loss of its initial efficiency. The simplicity of preparation, extraordinary stability and high reactivity make Co‐POM@MIL‐101 an exceptional catalytic matrix that is easily separable from reaction media. 相似文献
23.
Farnaz Heidar Zadeh Shant Shahbazian 《International journal of quantum chemistry》2011,111(9):1999-2013
This contribution deals with the subsystem variational procedure within the context of the quantum theory of atoms in positronic molecules (QTAIPM). Before introducing the subsystem energy functional termed as joint subsystem energy functional, a novel notation and the combination strategy are disclosed in detail by restating the positronic subsystem hypervirial theorem. They are employed in proposing the proper subsystem energy functional, the validity of which is checked by various criteria. The zero flux surfaces of the joint density distribution are used to define the topological atoms in the positronic molecules, and they are incorporated into the subsystem variational procedure as proper real space boundary conditions. The variational procedure finally yields the flux of the joint current property density that also appears in the positronic subsystem hypervirial theorem. At every stage, the corresponding equations for the purely electronic systems within the context of the quantum theory of atoms in molecules (QTAIM) are presented to clearly reveal the analogy between these two formalisms and to emphasize the importance of combining the property density distributions in the QTAIPM. The presented material demonstrates the internal consistency of the whole framework and discloses the fact that the QTAIM must be regarded as a variant of the QTAIPM. Furthermore, this formalism promises an extended QTAIM, which is hoped to resolve the issue of molecular structure beyond the clamp nuclei approximation. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2011 相似文献
24.
TiO2 nanoparticles(TiO2 NPs) worked as an efficient heterogeneous catalyst in a one-pot,three-component,and solvent free Mannich reaction;producing variousβ-aminocarbonyls in good yields,and with good stereoselectivities.The catalyst was easily separated from the reaction mixture and was recycled four times with no significant loss of its catalytic activity. 相似文献
25.
Mehdi Khoobi Ali Ramazani Alireza Foroumadi Saeed Emami Farnaz Jafarpour Amir Mahyari Katarzyna Ślepokura Tadeusz Lis Abbas Shafiee 《Helvetica chimica acta》2012,95(4):660-671
An efficient and organocatalyzed asymmetric reaction of phenacyl halides with coumarin‐based dihydrobenzothiazoles was developed to afford cis‐2,3‐disubstituted 3,4‐dihydro‐2H‐benzothiazines. This method provides a one‐step and highly diastereoselective route to a wide variety of coumarin‐based 3,4‐dihydro‐2H‐benzothiazines using the cheap and commercially available Cinchona alkaloid quinine hydrochloride. 相似文献
26.
Molecular alignment is viewed as a permutation Procrustes problem, where the goal is to find the best assignment of points (or functional groups) in one molecule to the points in another molecule. A penalty function ensures that the optimal alignment respects the underlying connectivity between atoms/points. This method helps reveal why molecular alignment suffers from the curse of dimension. 相似文献
27.
28.
Mehdi Khoobi Fatemeh Molaverdi Masoumeh Alipour Farnaz Jafarpour Alireza Foroumadi Abbas Shafiee 《Tetrahedron》2013,69(52):11164-11168
A protocol for straightforward and step-economical synthesis of neoflavones from coumarin-3-carboxylic acids is developed. This approach enables controlled protodecarboxylation/regioselective C–H arylation of coumain-3-carboxylic acids in one-pot using a monometallic catalytic system. A wide variety of electron-donating and -withdrawing substituents on both coumarins and arylboronic acid are tolerated under the reaction conditions and 4-aryl coumarins are constructed in high yields. 相似文献
29.
Andrzej Stankiewicz Farnaz Eghbal Sarabi Abdul Baubaid Peng Yan Hakan Nigar 《Chemical record (New York, N.Y.)》2019,19(1):40-50
The paper discusses the currents status and future perspectives of the utilization of microwaves, as a selective and locally controlled heating method, in heterogeneous catalytic flow reactors. Various factors related to the microwave‐catalyst interaction and the design of microwave‐assisted catalytic reactor systems are analyzed. The analysis clearly shows the superiority of the traveling‐wave systems over the mono‐mode and multi‐mode cavity‐based systems when it comes to the design and application of microwave flow reactors at relevant production scales. 相似文献
30.
M. Z. Kassaee Hassan Masrouri Farnaz Movahedi 《Monatshefte für Chemie / Chemical Monthly》2010,36(1):317-322