A fast linearized numerical method for nonlinear time-fractional diffusion equations

Numerical Algorithms - In this paper, we study a fast linearized numerical method for solving nonlinear time-fractional diffusion equations. A new weighted method is proposed to construct...     

A DFT study on mechanisms of CO2 coupling with propargylic alcohols using alkali carbonates

The mechanisms of CO₂ coupling with the propargylic alcohol using alkali carbonates M₂CO₃ (M = Li, Na, K, Cs) have been investigated by means of density functional theory calculations. The calculations reveal that the target product tetronic acid (TA) is yielded through two stages: (a) the formation of the α-alkylidene cyclic carbonate (αACC) intermediate via Cs₂CO₃-mediated carboxylative cyclization of the propargylic alcohol with CO₂, and (b) the conversion of the αACC intermediate with Cs₂CO₃ to produce the cesium salt of the TA. Since the overall kinetic barriers for the two stages are comparable and affordable, the excellent chemoselectivity to the TA should be primarily originated from the high thermodynamic stability of the cesium salt of the TA. Moreover, relative to the TA, the possibility to yield the by-product acyclic carbonate can be excluded due to the both kinetics and thermodynamic inferiority. This result is different from the organic base-mediated reaction. Alternatively, our calculations predict that CsHCO₃ together generated with the cesium salt of the TA might also be an available mediating reagent for the incorporation of CO₂ with the propargylic alcohol. Compared to other alkali carbonates M₂CO₃ (M = Li, Na, K), the stronger basicity of Cs₂CO₃ and the lower ionic potential of cesium ion can raise the effective concentration of the αACC intermediate, and thus the conversion of the αACC intermediate into the cesium salt of the TA can be achieved with high yield.     

光学扫描全息术中的孪生像噪音及消除

阐述了光学扫描全息术的基本原理,分析了孪生像噪音的来源,提出了一种新的数字滤波方法.计算机仿真结果表明:孪生像噪音以振荡形式传播,降低了重构图像的信噪比,影响了重构图像的分辨率;用电子复用技术,即用复全息图函数代替实全息图函数的方法可以有效地消除孪生像噪音;采用单一通道对信号进行处理,即只用一个实全息图函数,通过数字滤波方法同样可以消除孪生像噪音,该方法简便、实用而有效.     

CONE-DIRECTED CONTINGENT DERIVATIVES AND GENERALIZED PREINVEX SET-VALUED OPTIMIZATION

By using cone-directed contingent derivatives, the unified necessary and suffi-cient optimality conditions are given for weakly and strongly minimal elements respectively in generalized preinvex set valued optimization.     

锌,锰对K—Fe／ZSM—48CO加氢催化反应性能的影响

锌、锰对ＫＦｅ／ＺＳＭ４８ＣＯ加氢催化反应性能的影响范彬彬马静红樊卫斌李瑞丰曹景慧（太原工业大学精细化工研究所，太原０３００２４）关键词ＣＯ加氢，ＺＳＭ４８，助剂效应ＫＦｅ／ＺＳＭ４８在一氧化碳加氢合成低碳烯烃的反应中表现出良好的性能。沸石载体不仅...     

Synthesis of 3-(3′-Acetyl-5′-aroyl-1′,3′,4′-oxadiazolyl-2′)-chromones

A general method has been proposed for synthesizing 3-(3-acetyl-5-aroyl-1,3,4-oxadiazolyl-2)-chromones that has been based on conversion of 3-formylchromones to acylhydrazones and of theacylhydrazones into the heterocyclic chromones.     

丙烯酸酯和甲基丙烯酸酯基团转移共聚研究

研究了三种丙烯酸酯分别和四种甲基丙烯酸酯的基团转移共聚，用１Ｈ ＮＭＲ法测定共聚物组成，扩展的Ｋｅｌｅｎ Ｔｕｄｏｓ法测定竞聚率，结果为γＭＡ＝９２３、γＭＭＡ＝００６；γＥＡ＝１４１５、γＭＭＡ＝００１；γＢＡ＝７５１、γＭＭＡ＝００２；γＭＡ＝１４４１、γＥＭＡ＝００１；γＭＡ＝１３９６、γＢＭＡ＝０２３；γＭＡ＝８６６、γｉ ＢＭＡ＝００８，表明基团转移聚合同阴离子聚合有明显的相似之处．     

杂原子B—ZSM—35沸石的干法合成,表征及CO＋H2反应性能的研究

首次利用吸附态模板剂在Ｎａ２Ｏ－ＳｉＯ２－Ｂ２Ｏ３－ＤＥＡ干粉体系中合成了杂原子Ｂ－ＳＺＭ－３５沸石，ＸＲＤ，ＳＥＭ，ＩＲ，及ＣＯ加氢反应研究了其物理化学特性。结果表明，Ｂ原子同晶取代Ａｌ原子进入ＺＳＭ－３５沸石骨加。     

Photodissociation dynamics of the methyl radical at 212.5 nm: effect of parent internal excitation

Photodissociation dynamics of the CH3 radical at 212.5 nm has been investigated using the H atom Rydberg tagging time-of-flight method with a pure CH3 radical source generated by the photolysis of CH3I at 266 nm. Time-of-flight spectra of the H atom products from the photolysis of both cold and hot methyl radicals have been measured at different photolysis polarizations. Experimental results indicate that the photodissociation of the methyl radical in its ground vibrational state at 212.5 nm excitation occurs on a very fast time scale in comparison with its rotational period, indicating the CH3 dissociation at 212.5 nm occurs on the excited 3s Rydberg state surface. Experimental evidence also shows that the photodissociation of the methyl radical in the nu2 = 1 state of the umbrella mode at 212.5 nm excitation is characteristically different from that in the ground vibrational state.