Correction for the Concentration Polarization for Simultaneous Reduction of Several Reactants: Platinum(II) Aquachloride Complexes

The reaction of electroreduction of platinum(II) aquachloride complexes on a negatively charged dropping mercury electrode is used to determine specific features of interpretation of experimental data in the case of parallel conversion of several forms of a reactant, connected with the manner of introducing a correction for the concentration polarization. The difference in the charges of species undergoing simultaneous reduction gives rise to ambiguity when analyzing kinetic data on the dependence of current on the supporting-electrolyte concentration at constant electrode charge. A new self-consistent technique for deducing model parameters (ratio between reactant discharge rate constants) is proposed.     

On the Integration by Parts and Characterization of a Fractional Diffusion Process北大核心CSCD

本文研究分数扩散过程和其分部积分公式的关系.首先利用Bismut方法给出拉回公式,进而得到分数扩散过程的分部积分公式。反过来,证明了分数扩散过程可由其分部积分公式唯一刻画.     

军民融合背景下地方政府支持与民企参军行为的演化博弈研究

民参军是军民融合的重要组成内容,政府支持对于民参军的顺利进行发挥着关键作用。本文通过建立军民融合背景下的地方政府支持与民企参军行为的演化博弈模型,考察了参与者的决策演化过程,分析了参与者的进化稳定策略及影响因素。研究表明,增加地方政府对民企的资金奖励、加大民企参军税收优惠、民企资金收益率的提升,以及积极参军成本的降低,会使民企策略选择向积极参军方向演化,但却使地方政府行为向弱力度支持策略演化;而提升中央政府对地方政府的资金补助,降低地方政府支持民企积极参军的服务成本,不仅促使民企选择积极参军策略,还能促使地方政府选择强力度支持策略。最后,对模型结果进行算例分析,验证了结论的合理性。研究结果可以为当前民参军实践提供一定的理论指导。     

Retrieval and chaos in extremely dilutedQ-Ising neural networks

Using a probabilistic approach, the deterministic and the stochastic parallel dynamics of aQ-Ising neural network are studied at finiteQ and in the limitQ. Exact evolution equations are presented for the first time-step. These formulas constitute recursion relations for the parallel dynamics of the extremely diluted asymmetric versions of these networks. An explicit analysis of the retrieval properties is carried out in terms of the gain parameter, the loading capacity, and the temperature. The results for theQ network are compared with those for theQ=3 andQ=4 models. Possible chaotic microscopic behavior is studied using the time evolution of the distance between two network configurations. For arbitrary finiteQ the retrieval regime is always chaotic. In the limitQ the network exhibits a dynamical transition toward chaos.     

Migration of seismic data

Prospecting for oil and gas resources poses the problem of determining the geological structure of the earth's crust from indirect measurements. Seismic migration is an acoustic image reconstruction technique based on the inversion of the scalar wave equation. Extensive computation is necessary before reliable information can be extracted from large sets of recorded data. In this paper a collection of industrial migration techniques, each giving rise to a data parallel algorithm, is outlined. Computer simulations on synthetic seismic data illustrate the problem and the approach.     

C 1 surface interpolation with constraints

Givenn pairwise distinct and arbitrarily spaced pointsP _i in a domainD of thex–y plane andn real numbersf _i, consider the problem of computing a bivariate functionf(x, y) of classC ¹ inD whose values inP _i are exactlyf _i,i=1,,n, and whose first or second order partial derivatives satisfy appropriate equality and inequality constraints on a given set ofp pointsQ _l inD.In this paper we present a method for solving the above problem, which is designed for extremely large data sets. A step of this method requires the solution of a large scale quadratic programming (QP) problem.The main purpose of this work is to analyse an iterative method for determining the solution of this QP problem: such a method is very efficient and well suited for parallel implementation on a multiprocessor system.Work supported by MURST Project of Computational Mathematics, Italy.     

液相组合合成的纯化方法

综述了近8年来液相平行合成和组合合成中应用的不同技术, 包括可溶性载体、氟合成技术、离子液体、固相试剂树脂以及低聚乙烯二醇(OEG)衍生物的应用等几方面内容. 论述了它们的基本原理以及相关的应用实例, 并着重强调了目标化合物的分离纯化方法.     

Electrical interaction between two cylinders with an ion-penetrable charged membrane in an oil/water interface

The electrical interaction between two long, parallel cylinders each is covered by an ion-penetrable charged membrane immersed in an oil/water interface is investigated. The effects of contact angle, radius of cylinder, and membrane thickness on the electrical interaction force are examined. The results of numerical simulation reveal that the following conditions lead to a greater electrical interaction force: (i) a larger contact angle, i.e. a larger fraction of a cylinder in the oil phase; (ii) a larger cylinder radius; and (iii) a thinner membrane. For a fixed ionic strength, the electrical interaction force is insensible to the type of electrolytes in the water phase, in general. However, if two cylinders are close enough, then the higher the valence of counterions the greater the electrical interaction force.     

Quasi‐random integration in quantum chemistry: Efficiency,stability, and application to the study of small atoms and molecules constrained in spherical boxes

This project consists of two parts. In the first part, a series of test calculations is performed to verify that the integrals involved in the determination of atomic and molecular properties by standard self‐consistent field (SCF) methods can be obtained through Halton, Korobov, or Hammersley quasi‐random integration procedures. Through these calculations, we confirm that all three methods lead to results that meet the levels of precision required for their use in the calculation of properties of small atoms or molecules at least at a Hartree–Fock level. Moreover, we have ensured that the efficiency of quasi‐random integration methods that we have tested is Halton=Korobov>Hammersley?pseudo‐random. We also find that these results are comparable to those yielded by ordinary Monte Carlo (pseudo‐random) integration, with a calculation effort of two orders of smaller magnitude. The second part, which would not have been possible without the integration method previously analyzed, contains a first study of atoms constrained in spherical boxes through SCF calculations with basis functions adapted to the features of the problem: Slater‐type orbitals (STOs) trimmed by multiplying them by a function that yields 1 for 0 < r < (R‐δ), polynomial values for (R‐δ) < r < R and null for r > R, R being the radius of the box and δ a variationally determined interval. As a result, we obtain a equation of state for electrons of small systems, valid just in the limit of low temperatures, but fairly simple. © 2006 Wiley Periodicals, Inc. Int J Quantum Chem, 2007     

PRIRODA-04: a quantum-chemical program suite. New possibilities in the study of molecular systems with the application of parallel computing

Main characteristics are described of the PRIRODA quantum-chemical program suite designed for the study of complex molecular systems by the density functional theory, at the MP2, MP3, and MP4 levels of multiparticle perturbation theory, and by the coupled-cluster single and double excitations method (CCSD) with the application of parallel computing. A number of examples of calculations are presented.__________Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 3, pp. 804–810, March, 2005.