STUDY OF Cu-Mu CATALYST FOR THE SYNTHESIS OF METHYL FORMATE AND METHANOL FROM SYNTHESIS GAS

将一种新型的ＣｕＭｎ催化剂用于由合成气合成甲酸甲酯和甲醇，该催化剂表现出良好的反应活性和甲酸甲酯选择性。考察了反应温度、合成气压力及催化剂制备方法等对合成甲酸甲酯和甲醇的反应活性及选择性的影响。在反应条件下，产物收率最高达６０．１０ｇ／（Ｌ·ｈ），产物甲酸甲酯的选择性很高。用ＢＥＴ、ＸＲＤ及ＸＰＳＡｕｇｅｒ等测试方法对催化剂的比表面、晶相组成以及铜、锰在催化剂中的价态进行了表征，并探讨了催化剂失活的原因。     

三聚氰胺甲醛树脂用作絮凝剂的探讨

研究了反应物配比，反应时间、反应温度对产物密胺甲醛树脂絮凝效果的影响，找出了絮凝效果最佳的反应条件为：三聚氰胺／二甲胺／甲醛＝１／９／（４￣７），反应温度７０℃及反应时间２ｈ。     

Ni(OH)2修饰的三聚氰胺泡沫用于可压缩超级电容器电极

通过化学镀和电化学镀的方法制备了一种Ni(OH)₂电化学活性材料修饰三聚氰胺泡沫(MF)可压缩骨架的超级电容器电极材料MF/Ni(OH)₂。MF/Ni(OH)₂可压缩电极材料表现出最佳的电容性能,例如循环稳定性(即使在40 mA/cm^-3的电流密度下经过2000次充放电循环后,可压缩电极仍能保持90.63%的初始电容)和可压缩稳定性(即使在压缩率为50%时,仍具有97.88%的电容保持率)。层状可压缩超级电容器由MF/Ni(OH)₂弹性材料作为阳极,镍/碳(Ni/C)为阴极以及实验室中常用的滤纸作隔膜材料组成。这种超级电容器装置在不同的压缩下表现出良好的电化学性能和优异的压缩稳定性。最后,使用可压缩的超级电容器来点亮LED灯,以展示其在柔性电子设备中的应用。这些优化的电化学和机械性能表明MF/Ni(OH)₂可作为可压缩超级电容器的应用中的候选电极。     

Synthesis and structural investigation of the compounds containing HF2 anions: Ca(HF2)2, Ba4F4(HF2)(PF6)3 and Pb2F2(HF2)(PF6)

Three new compounds Ca(HF₂)₂, Ba₄F₄(HF₂)(PF₆)₃ and Pb₂F₂(HF₂)(PF₆) were obtained in the system metal(II) fluoride and anhydrous HF (aHF) acidified with excessive PF₅. The obtained polymeric solids are slightly soluble in aHF and they crystallize out of their aHF solutions. Ca(HF₂)₂ was prepared by simply dissolving CaF₂ in a neutral aHF. It represents the second known compound with homoleptic HF environment of the central atom besides Ba(H₃F₄)₂. The compounds Ba₄F₄(HF₂)(PF₆)₃ and Pb₂F₂(HF₂)(PF₆) represent two additional examples of the formation of a polymeric zigzag ladder or ribbon composed of metal cation and fluoride anion (MF⁺)_n besides PbF(AsF₆), the first isolated compound with such zigzag ladder. The obtained new compounds were characterized by X-ray single crystal diffraction method and partly by Raman spectroscopy. Ba₄F₄(HF₂)(PF₆)₃ crystallizes in a triclinic space group P1¯ with a=4.5870(2) Å, b=8.8327(3) Å, c=11.2489(3) Å, α=67.758(9)°, β=84.722(12), γ=78.283(12)°, V=413.00(3) Å³ at 200 K, Z=1 and R=0.0588. Pb₂F₂(HF₂)(PF₆) at 200 K: space group P1¯, a=4.5722(19) Å, b=4.763(2) Å, c=8.818(4) Å, α=86.967(10)°, β=76.774(10)°, γ=83.230(12)°, V=185.55(14) ų, Z=1 and R=0.0937. Pb₂F₂(HF₂)(PF₆) at 293 K: space group P1¯, a=4.586(2) Å, b=4.781(3) Å, c=8.831(5) Å, α=87.106(13)°, β=76.830(13)°, γ=83.531(11)°, V=187.27(18) Å³, Z=1 and R=0.072. Ca(HF₂)₂ crystallizes in an orthorhombic Fddd space group with a=5.5709(6) Å, b=10.1111(9) Å, c=10.5945(10) Å, V=596.77(10) Å³ at 200 K, Z=8 and R=0.028.     

New Investigation of Potential Acting on an Electron in a Molecule to Draw Molecular Faces

A new approach to calculate the potential acting on an electron in a molecule(PAEM) has been established for drawing the molecular face(MF) of a macromolecule, according to the classic point charge model and the atom-bond electronegativity equalization method(ABEEMσπ) for one electron in a molecule. We introduced a dynamic charge distribution from the view of a local electron movement in a molecule based on the new approach, and as further direct evidence, we calculated some physical quantities using the original ab initio method and the new method to verify the accuracy of the method, such as the boundary distance(BD), molecular face surface area(MFSA) and molecular reactivities indicated by the MFs for a variety of organic molecules. All the results by the new method are in agreement with the results by ab initio method.     

Projectivity, transitivity and AF-telescopes

Continuing our study of projective -algebras, we establish a projective transitivity theorem generalizing the classical Glimm-Kadison result. This leads to a short proof of Glimm's theorem that every -algebra not of type I contains a -subalgebra which has the Fermion algebra as a quotient. Moreover, we are able to identify this subalgebra as a generalized mapping telescope over the Fermion algebra. We next prove what we call the multiplier realization theorem. This is a technical result, relating projective subalgebras of a multiplier algebra to subalgebras of , whenever is a -subalgebra of the corona algebra . We developed this to obtain a closure theorem for projective -algebras, but it has other consequences, one of which is that if is an extension of an MF (matricial field) algebra (in the sense of Blackadar and Kirchberg) by a projective -algebra, then is MF. The last part of the paper contains a proof of the projectivity of the mapping telescope over any AF (inductive limit of finite-dimensional) -algebra. Translated to generators, this says that in some cases it is possible to lift an infinite sequence of elements, satisfying infinitely many relations, from a quotient of any -algebra.

     

Studies of high-repetition-rate laser plasma EUV sources from droplet targets

The water droplet laser plasma source has been shown to have many attractive features as a continuous, almost debris-free source for extreme ultraviolet (EUV) and X-ray applications. Through a dual experimental and theoretical study, we analyze the interaction physics between the laser light and the target. The hydrodynamic laser plasma simulation code, Medusa103 is used to model the electron density distribution for comparison to electron density distributions obtained through Abel inversion of plasma interferograms. In addition, flat field EUV spectra are compared to synthetic spectra calculated with the atomic physics code RATION. Received: 31 October 2002 / Accepted: 8 February 2003 / Published online: 28 May 2003 RID="*" ID="*"Present address: Naval Reseach Laboratory, Washington D.C. RID="**" ID="**"Present address: Xtreme Technologies, G?ttingen, Germany. RID="***" ID="***"Corresponding author. Fax: +1-407/823-3570, E-mail: mrichard@mail.ucf.edu     

Insight into Markovnikov regioselectivity rule via molecular face and ABEEM‐σπ theory

Electrophilic additions of HCl to a series of asymmetric alkenes in the gas phase are investigated by the Molecular Face (MF) theory and ABEEM‐σπ model. The interesting features of regioselectivity for these reactions are characterized by the electron density (ED) encoded on the MF of alkenes and charge distribution of alkenes obtained via the ABEEM‐σπ model, respectively. It is then demonstrated that for a series of alkenes, the Hammett constant σ_p (substituent constant) has a good linear correlation with K_ED, where K_ED is character of the ED at the π region in the initial state of alkenes. Comparison between investigations using MF, ABEEM‐σπ, molecular electrostatic potential, and DFT theories, in essence, give similar conclusions for explaining the regioselectivity of the electrophilic additions to alkenes, although from different points of view. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2011     

Characterization of floc size and structure under different monomer and polymer coagulants on microfiltration membrane fouling

The characteristic of aggregates pre-coagulated by inorganic monomer alum, polymer aluminium chlorohydrate(ACH) and polyaluminium chloride(PACl) coagulants impose major impact on the removal of humic acids (HAs) and the reduction of microfiltration (MF) membrane fouling. The fractal dimension of flocs formed by ACH and PACl is higher than that by monomer alum, indicating Keggin structure produced by polymer coagulants is much more compact compared with hexameric ring structure of alum hydrolysis species. Correspondingly, cake layer specific resistance is far higher and the MF membrane flux deteriorates much more severely when pre-coagulated by ACH and PACl than by alum. Moreover, the higher basicity contains in PACls, the cake layer fouling is more serious for producing more proportion of dense hydrolysis species Al₁₃. Thus, the polymer coagulant ACH and PACl seems not adapt to the pre-coagulation–MF process for cake layer resistance increase two to three times although they save 60–70% dose in comparison with alum for HAs removal. Additionally, for three Al-based coagulants under sweep coagulation condition, insufficient dose result in lower HAs removal and produce more small particles caused higher cake layer specific resistance according to Carman–Kozeny relationship. On the other hand, coagulant hydrolysis species as direct contaminant loading aggravated cake resistance on the MF membrane when overdosed. The optimum dose should keep the minimum to provide better HAs removal efficiency, and produce lower cake layer specific resistance and higher membrane filterability for pre-coagulation–MF hybrid process.     

Determination of resveratrol and piceid in beer matrices by solid-phase extraction and liquid chromatography-tandem mass spectrometry

Beer is one of the most commonly consumed undistilled alcoholic beverages in many countries. In recent studies, the stilbenes resveratrol and piceid have been found in some hop varieties which are used in the production of beer. Therefore, they could be transferred to beer. The aim of the present work was to validate a method to study the potential content of trans- and cis-resveratrol and piceid in 110 commercial beers from around the world. The resveratrol and piceid contents of 110 beers were analyzed by liquid chromatography-tandem mass spectrometry (LC-MS/MS) after a solid-phase extraction (SPE) using optimized and validated procedures for the beer matrix. The beer matrix effect was also studied. Stilbenes were found in quantifiable amounts in 92 beers, while concentrations below the limit of quantification (LOQ) were found in 18 beers. Resveratrol was found in the range of 1.34-77.0μg/L in 79% of the beers analyzed, and piceid was found in the range of 1.80-27.3μg/L in only 33% of them. The mean of total resveratrol in all the beers was 14.7±20.5μg/L. The content of resveratrol has been compared with other resveratrol containing foods. A serving of beer contains similar amounts of stilbenes as berries, less than chocolate and grape products but more than pistachios, peanuts or tomatoes. Overall, beer is one of the products with the lowest levels of total resveratrol (μg/L), and despite its high consumption it should not be considered as a representative source of resveratrol.