Estimating rate constants in a convection-diffusion system with a boundary reaction

While performing biomolecular interaction analysis (BIA), scientistsoften use surface plasmon resonance (SPR) to measure rate constantsof the associated reactions. A mathematical model of a BIAcore^TM,a common SPR device, consists of a convection-diffusion equationin a channel with a reacting surface at the channel ceiling.Asymptotic and singular perturbation techniques are used toanalyse the concentration of the reacting species in two cases:when the reaction occurs much more slowly than diffusion, andwhen the reaction occurs on the same time-scale as diffusion.Linear and nonlinear integral equations result from the analysis;explicit and asymptotic solutions are constructed for physicallyrealizable cases. These expressions provide a direct way toestimate the rate constants from raw data.     

一种新型四硫富瓦烯衍生物的合成与表征

以二硫化碳和金属钠为基础物质合成了四硫富瓦烯（TTF）锌的配合物（TTF）Zn（NBu4）2。利用该化合物与苯甲酰氯反应得到的稳定化合物C17H10O2S5在甲醇钠溶液中与2,3-二溴丙醇反应成功合成出目标化合物（一种新配体）,其化学组成为C6H6OS5。利用IR谱、^1HNMR谱及元素分析对此化合物进行了表征。     

新大线同沟敷设热力分析

针对新大线同沟敷设管道,采用非结构化有限容积法,分析了不同的物性条件下,常温输送原油对加热输送原油的热力影响.     

对-叔丁基杯[8]芳烃键合硅胶制备及其毛细管电色谱性能研究

以γ-(环氧丙氧)丙基键合硅胶为前体,于硅胶表面键合环氧基,在催化剂存在下以杯芳烃钠盐开环制备杯芳烃键合硅胶固定相.该方法反应条件温和,适用性强.将这个新方法首次用于制备对-叔丁基杯[8]芳烃电色谱键合固定相(C8BS),采用加压电色谱初步评价其电色谱性能.研究结果表明,C8BS电渗流(Electrosmoticflow,EOF)较小,但通过控制键合反应及使用压力辅助电色谱可部分弥补上述不足.该固定相的EOF受流动相pH影响小(pH=3-8),同时大环配体屏蔽效应能有效地克服硅羟基引起的碱性化合物拖尾现象,这对电色谱分离具有重要意义.通过分步封尾研究EOF的来源发现,杯芳烃酚羟基对EOF有弱的贡献,这与报道的杯芳烃涂层具有径向电渗流调控能力相一致.     

蒙药新-Ⅱ中微量硒的测定

采用硒 -硫氰酸钾 -罗丹明 B-明胶 - OP体系分光光度法测定蒙药新 - 中微量硒。其含量为 6 .6—7.3μg· g-1 ,回收率为 94 %— 95 %。     

天然磷脂的色谱法分离、纯化研究进展

天然磷脂是一类含磷酸根的类脂化合物的总称,在医药学、营养学、化妆品和生命科学领域等有重要的应用价值。本文综述了不同原料样品中磷脂种类和其各分子的色谱法分离、纯化。着重讨论高效液相色谱法分离技术及其影响因素。最后概述了有助于提高分离选择性、检测灵敏度的化学衍生化方法。     

Control of ionic transport through gated single conical nanopores

Control of ionic transport through nanoporous systems is a topic of scientific interest for the ability to create new devices that are applicable for ions and molecules in water solutions. We show the preparation of an ionic transistor based on single conical nanopores in polymer films with an insulated gold thin film “gate.” By changing the electric potential applied to the “gate,” the current through the device can be changed from the rectifying behavior of a typical conical nanopore to the almost linear behavior seen in cylindrical nanopores. The mechanism for this change in transport behavior is thought to be the enhancement of concentration polarization induced by the gate. Figure   Electronic supplementary material  The online version of this article (doi:) contains supplementary material, which is available to authorized users.     

基于集合卡尔曼变换的东中国海声学 敏感区判定方法*

为改善海洋与水声环境预报质量,针对常规观测成本高、资料利用率低等问题,将适应性观测方法应用于海洋声学领域。结合海洋-声学耦合模式与集合卡尔曼转换敏感区诊断方法,以东中国海宫古海峡北部区域为验证区,计算并分析不同条件下海洋环境敏感区与声学敏感区分布,通过观测系统模拟试验验证适应性观测对验证区预报的提升效果。结果表明,两种敏感区位置随时间间隔增加均向验证区上游移动,海洋环境敏感区相比于声学敏感区分布更为集中,且平移特征更明显;对海洋环境敏感区和声学敏感区添加适应性观测均能提升海洋与水声环境的预报质量,提升效果随时间间隔增加而减小,在某种类型敏感区的适应性观测对相对应参数的预报质量提升效果优于对其他类型敏感区进行观测的效果。     

Accelerating CFD–DEM simulation of processes with wide particle size distributions

Size-reduction systems have been extensively used in industry for many years. Nevertheless, reliable engineering tools to be used to predict the comminution of particles are scarce. Computational fluid dynamics(CFD)–discrete element model(DEM) numerical simulation may be used to predict such a complex phenomenon and therefore establish a proper design and optimization model for comminution systems.They may also be used to predict attrition in systems where particle attrition is significant. Therefore,empirical comminution functions(which are applicable for any attrition/comminution process), such as:strength distribution, selection, equivalence, breakage, and fatigue, have been integrated into the threedimensional CFD–DEM simulation tool. The main drawback of such a design tool is the long computational time required owing to the large number of particles and the minute time-step required to maintain a steady solution while simulating the flow of particulate materials with very fine particles.The present study developed several methods to accelerate CFD–DEM simulations: reducing the number of operations carried out at the single-particle level, constructing a DEM grid detached from the CFD grid enabling a no binary search, generating a sub-grid within the DEM grid to enable a no binary search for fine particles, and increasing the computational time-step and eliminating the finest particles in the simulation while still tracking their contribution to the process.The total speedup of the simulation process without the elimination of the finest particles was a factor of about 17. The elimination of the finest particles gave additional speedup of a factor of at least 18.Therefore, the simulation of a grinding process can run at least 300 times faster than the conventional method in which a standard no binary search is employed and the smallest particles are tracked.     

Collective Modes in Strongly Coupled Binary Liquids

We analyze the collective excitations in two‐ and three‐dimensional binary Yukawa systems, consisting of two components with different masses. Theoretical analysis reveals a profound difference between the weakly and strongly correlated limits: at weak coupling the two components interact via the mean field only and the oscillation frequency is governed by the light component. In the strongly correlated limit the mode frequency is governed by the combined mass, where the heavy component dominates. Computer simulations in the full coupling range extend and confirm the theoretical results (© 2011 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)