OPTIMIZATION IN ORGANIC SYNTHESIS.AN APPROACH TO OBTAINING KINETIC INFORMATION BY SEQUENTIAL RESPONSE SURFACE MODELLING.OUTLINE OF THE PRINCIPLES

A method is presented by which it is possible to estimate the initial rate of chemical reactions when theexperimental conditions are varied according to a response surface design.The method is intended as acomplementary method for analysing data obtained from experiments in synthetic chemistry when theobjective is to optimize the yield of the reaction.Data obtained by simulations have been used to develop the method.From the simulated reactions itis shown that sequential analysis of the chemical yield of the reaction makes it possible to estimate modelswhich describe how the parameters of the response surface of the yield vary over time.The derivativesof these time functions of the response surface parameters can be used to define a rate function whichdescribes how the variations in the experimental conditions influence the rate of the reaction.It is shown how such rate functions can be used to afford reasonable estimates of the initial rates ofthe reaction.The initial reaction rates thus estimated can be used to determine the kinetic order of thereactants and also to provide estimates of the activation energy of the reaction.A thorough discussion of how canonical analysis of the rate function may assist in the elucidation ofreaction mechanisms is given.     

青藏高原钠硼解石在水中溶解动力学和热力学的研究

本工作采用ｐＨ值，电导率和Ｎａ＋、Ｃａ（２＋）选择电极的电极电位四种物理参数跟踪测定了钠硼解石在１０℃～３５℃纯水中的溶解过程，结合取样进行化学分析和对固相的物相鉴定确定了溶解机制．拟合出溶解动力学方程，计算了Ａｒｒｈａｎｉｕｓ活化能，并根据最终平衡的各离子浓度计算出溶度积常数、溶解度、溶解热和溶解熵等热力学函数．     

The kinetic energy budget of monsoon circulation over the Indian region during ISMEX-1973

A kinetic energy budget over the Indian region is computed for the period 4–9 July 1973, when a twin monsoon depression-one in the Bay of Bengal and another in the Arabian sea were the dominant synoptic features. The generation term caused by the cross-contour flow is a dominant source to the kinetic energy. The dissipation term is computed as a residual and is a major sink for the kinetic energy. The horizontal flux divergence is also a sink term but is much smaller in magnitude than other major source and sink terms. From the results it may be inferred that the generation term is the most important for the maintenance of monsoon disturbances.     

惯性区低-β等离子体中的动力学Alfvén孤波

运用双流体MHD方程描述电子和离子的行为, 采用非扰动理论, 把孤子看作经典粒子, 通过推导的赝势(也称Sagdeev势)方程, 结合数值计算来研究惯性区低-β等离子体中动力学Alfvén孤波的特性. 结果表明离子热效应对Alfvén孤波特性的影响不可忽略, 且在惯性区稀疏型孤波和压缩型孤波均存在. 此结论与Freja卫星在极区上空所观测结果吻合很好. Alfvén孤波携带有平行电场, 它对带电粒子的加速有重要作用, 这给极光粒子加速提供了一种可能的物理机制.     

Radar measurements of integral parameters of hailstorms used on hail suppression projects

The exact quantitative estimation of hailstorm precipitation intensity, allowing determining successfully the crop hail damage, is extremely necessary while carrying out of programs of experimental researches of the hail clouds as well as at realization of operative projects on hail suppression. On the other hand, the possibility of obtaining a trustworthy information about changes of hailfall intensity during cloud seeding operations enables to judge more objectively about seeding effect and to make a decision about its beginning and termination. Just because of such a parameter, the kinetic energy of hailfalls presents a great interest for the researchers. As it is known, measuring the kinetic energy of hailfalls is carried out both directly by ground network of hailpads, and by radar methods. The accuracy of the radar methods of the hail kinetic energy measurement strongly depends not only on the choice of an optimum formula for calculation but also on the algorithm used for separating hail and rain parts of radar echo and on the way it was used in the hail–rain mixture zone of precipitation.The method of calculating the kinetic energy of the hailfalls, based on empirical dependence of hail probability P_h on a height of a zone of a radar echo with a reflectivity of 45 dBZ above a level of zero isotherm ΔH₄₅, is offered in the given work. The algorithm of separating hail and rain parts of a radar echo and the way it was applied in a hail–rain mixture zone is described. The examples of hail streaks in contours of radar reflectivity and in isopleths of hail kinetic energy obtained using the given algorithm are shown.In Mendoza province (Argentina), a hail suppression project (1993–1997) for the analysis of the vertical structure of a radar echo with Z_max > 45 dBZ, such new parameter is an integral altitude, was used. This dimensionless parameter is most sensitive to such a condition of radar echo when all four contours of increased reflectivity Z₄₅, Z₅₅, Z₆₅, and Z₇₅ synchronously reach the maximal values. The analysis of time distributions of the main radar parameters of hailstorms on a background of values of integral altitude is resulted. It is shown that local hailfall maximum intensities on the ground are observed after the achievement of maximum integral altitude with a certain delay. It enables to predict zones of the greatest hail damage in a mode of radar observation.     

Adsorption Kinetic Modeling of Safranin onto Rice Husk Biomatrix Using Pseudo‐first‐ and Pseudo‐second‐order Kinetic Models: Comparison of Linear and Non‐linear Methods

Batch kinetic studies were carried out for the removal of safranin from aqueous solution using a biomatrix prepared from rice husk. The adsorption kinetic data were modeled using the pseudo‐first‐order and pseudo‐second‐order kinetic equations. The linear and non‐linear forms of these two widely used kinetic models were compared in this study. In order to determine the best‐fitting equation, the coefficient of determination (r²), the sum of the squares of the errors (SSE), sum of the absolute errors (SAE), average relative error (ARE), hybrid fractional error function (HYBRID), Marquardt's percent standard deviation (MPSD), and the Chi‐squared test (χ²) were used as error analysis methods. Results showed that the non‐linear forms of pseudo‐first‐order and pseudo‐second‐order models were more suitable than the linear forms for fitting the experimental data. Non‐linear method is thus more appropriate for estimating the kinetic parameters and should primarily be used to describe adsorption kinetics.     

SCR Distribution Function in the Radial IMF Approximation

The transport of cosmic rays in the interplanetary medium is considered in terms of the kinetic equation describing the energetic particle scattering by magnetic irregularities and their focusing by the regular interplanetary magnetic field. The analytical expression for solar cosmic ray distribution function in the approximation of radial regular magnetic field is obtained and the evolution of energetic particle angular distribution is analyzed. The obtained results can be used for the analysis of ground-level enhancements of cosmic ray intensity.     

Removal of Arsenic from Simulated Groundwater Using GAC‐Ca in Batch Reactor: Kinetics and Equilibrium Studies

This paper deals with kinetics and equilibrium studies on the adsorption of arsenic species from simulated groundwater containing arsenic (As(III)/As(V), 1:1), Fe, and Mn in concentrations of 0.188, 2.8, and 0.6 mg/L, respectively, by Ca²⁺ impregnated granular activated charcoal (GAC‐Ca). Effects of agitation period and initial arsenic concentration on the removal of arsenic species have also been described. Although, most of the arsenic species are adsorbed within 10 h of agitation, equilibrium reaches after ～24 h. Amongst various kinetic models investigated, the pseudo second order model is more adequate to explain the adsorption kinetics and film diffusion is found to be the rate controlling step for the adsorption of arsenic species on GAC‐Ca. Freundlich isotherm is adequate to explain the adsorption equilibrium. However, empirical polynomial isotherm gives more accurate prediction on equilibrium specific uptakes of arsenic species. Maximum specific uptake (q_max) for the adsorption of As(T) as obtained from Langmuir isotherm is 135 µg/g.     

有限区域分解分析方法在2006年一次东北冷涡暴雨分析中的应用

2006年7月19-24日,东北地区出现一次明显的冷涡发展导致强降水的过程.对这次东北冷涡过程的天气形势分析表明,该东北冷涡的维持和发展与冷涡东部阻塞高压的建立与消亡有关.本文根据500 hPa环流形势演变特征,将东北冷涡发生发展过程分为4个阶段,并借助调和-余弦谱展开方法,对东北冷涡各阶段850 hPa水平风和水汽通量进行无辐散和无旋转分量分解,分析各阶段无旋转风动能和无辐散风动能之间的能量转化.研究结果表明,分解得到的无辐散风及其水汽通量清楚地展现出了东北冷涡的大尺度环流和水汽输送通道及水汽来源,而从无旋转风及其水汽通量上则可以直观地看到冷涡低层的中小尺度风场及水汽辐合辐散区,为分析东北冷涡内部对流提供帮助.东北冷涡发展的不同阶段其水汽来源有所不同,初始阶段的水汽主要来自黄海和渤海地区,发展阶段水汽主要来自日本海,而到成熟阶段和减弱阶段,水汽输送通道被破坏,冷涡的水汽供应大大减少,与同时期暴雨减弱一致.同时,无旋转风辐合强值区和无旋转风水汽通量大值区的重合区域有利于强对流的发生发展,表现为重合区与TBB(Temperature of Black Body,黑体辐射温度)强对流云带的形状和位置对应良好,与降水落区也较为一致,可为预报东北冷涡引发的强降水落区这一预报难点问题提供参考.从动能转化上看,无旋转风和无辐散风的动能转化项能很好地反映东北冷涡整个生命史过程中各阶段强度的变化特点,对冷涡强度预报具有一定的指示意义.