CSP结晶器内钢液面动态失稳现象的水模型实验

利用1∶1的水力学模型对双侧孔水口下CSP结晶器内部流场流动进行了瞬态研究.结果表明,液面波动具有明显的周期性加剧现象,称之为"液面动态失稳".讨论了不同工艺参数下液面动态失稳的规律,用示踪实验法研究了流场内部的流动特征,分析了"液面动态失稳"与内部流场运动关系.液面的动态失稳现象主要是结晶器内的湍动能由下而上聚集并迅速耗散引起.     

A surprising permanence of old motivations (a not-so-rigid story)

This is not a survey article. Rather it is a personal statement written for a lifelong friend and collaborator. Still, it is an ambition of this article to survey some of the key moments of our development in the past 40 years. In doing so perhaps some evidence has arisen which otherwise seems to be obscured by the hectic day-to-day academic life. Hence the title.     

基于共价有机框架材料TpPa-NH2-Glu的高效液相色谱固定相用于分离手性化合物

共价有机框架材料（COFs）是一类由多齿有机单元通过共价键连接而成的新兴孔晶体材料。通过合成后修饰所得到的COFs通常具有较高的结晶度与孔隙率,并且在手性拆分、不对称催化与色谱分析等领域具有良好的应用价值。该文用1,3,5-三甲醛间苯三酚与2-硝基-1,4-苯二胺合成TpPa-NO₂,对其还原得到TpPa-NH₂,然后通过合成后修饰策略将D-葡萄糖修饰到该材料上,得到手性材料TpPa-NH₂的D-葡萄糖衍生物（TpPa-NH₂-Glu）。利用“网包法”将其固载在球形硅胶表面用作高效液相色谱固定相并制备了液相色谱柱,分别以正己烷-异丙醇（9∶1, v/v）或甲醇-水（9∶1, v/v）为流动相,流速0.5 mL/min,成功拆分了16种包括多个手性药物的外消旋体和2种苯系位置异构体o,m,p-硝基苯胺和o,m,p-碘苯胺。在甲醇-水（9∶1, v/v）流动相条件下,拆分了5种外消旋体,其中盐酸普萘洛尔、华法林、美托洛尔达到了基线分离;在正己烷-异丙醇（9∶1, v/v）流动相条件下,拆分了11种外消旋体,其中2-溴丙酸乙酯、3-丁炔-2-醇达到了基线分离。此外还探究了温度对TpPa-NH₂-Glu液相色谱柱的影响以及TpPa-NH₂-Glu液相色谱柱的重复性,结果表明,温度对TpPa-NH₂-Glu所制备的高效液相色谱柱影响不大,且TpPa-NH₂-Glu所制备的高效液相色谱柱具有良好的重复性,其相对标准偏差（RSD）分别为1.55%和1.46%。实验结果表明,TpPa-NH₂-Glu对手性化合物有良好的拆分能力。     

Combining VNS with constraint programming for solving anytime optimization problems

This paper presents an hybrid search method for solving on-line optimization problems that are modelled using the vcspValued Constraint Satisfaction Problems framework. To each constraint is associated a valuation representing the “cost to pay” when this constraint will be violated by a solution. Our method (VNS/LDS+CP) uses principles of VNS (Variable Neighborhood Search) and combines a partial tree search (Limited Discrepancy Search) with Constraint Propagation in order to compute local optima. Experiments on the CELAR benchmarks demonstrate significant improvements on other competing methods: LNS/CP/GR [Lobjois, L., Lemaitre, M., Verfaillie, G., 2000. Large neighbourhood search using constraint propagation and greedy reconstruction for valued csp resolution. In: Proceedings of the ECAI2000 Workshop on Modelling and Solving Problems with Constraints], another hybrid method using vcsps, and two standard versions of Simulated-Annealing [Li, Y.H., 1997. Directed annealing search in constraint satisfaction and optimization. Ph.D. thesis, Imperial College of Science, Department of Computing]: Quick and Medium. Moreover, VNS/LDS+CP clearly satisfies the key properties of anytime algorithms. Finally, VNS/LDS+CP has been successfully applied to a real-life on-line resource allocation problem in computer networks.     

The Study of Separation and Thermodynamics of Adsorption of the Enantiomers of Ethofumasate on a Modified Cellulose

Abstract

Cellulose and cellulose derivatives are biopolymers that are often used as stationary phases for the separation of enantiomers. Describing the mechanism of such separations is a difficult task due to the complexity of these phases. In the present study, direct enantiomeric resolution of ethofumesate has been achieved, using hexane as the mobile phase with various alcoholic modifiers on cellulose tri(3,5‐dimethylphenylcarbamate) chiral stationary phase (CDMPC CSP). The influence of the mobile phase composition and the column temperature on the chiral separation was studied. It was found that at a constant temperature and within a certain range of alcohol modifier concentration, the conformation of the polymeric phase, and the selective adsorption sites were not affected by alcohol modifier concentration. The type and the concentration of the alcoholic modifiers influenced the retention factor and the separation factor. Ethofumesate gained the best enantioseparation using sec‐butanol as alcoholic modifier at 25°C with α‐value 1.70. And the separation factor decreased with the increase of the column temperature. The van't Hoff plots were linear (R ²>0.96) for ethofumesate from 25°C to 50°C. That showed the enantioselective interactions do not change over the temperature range studied. Furthermore the values of ΔH° and ΔS° were both negative, which indicated an enthalpy‐driven separation. And the possible chiral recognition mechanism of the analyte and CDMPC was discussed. It was found that hydrogen bonding plays an important role on enantioseparation of CDMPC CSP. The inclusion and fitness of solute shape in the chiral cavity significantly contributed to the enantioseparation of solute.     

Rational optimization of the Whelk-O1 chiral stationary phase using molecular dynamics simulations

Rational in silico optimization of the Whelk-O1 chiral stationary phase (CSP) has been carried out based on the chiral recognition mechanism extracted from previous molecular dynamics simulations [C.F. Zhao, N.M. Cann, Anal. Chem. 80 (2008) 2426] of this CSP. Three modified CSPs have been examined. The first two are designed to increase selectivity by reducing the docking probability of the less retained analyte. The third modified selector reverses the amide bridge to introduce a structural motif found in the popular carbamate-derivatized polysaccharide CSPs [Y. Okamoto, M. Kawashima, K. Hatada, J. Am. Chem. Soc. 106 (1984) 5357]. For each modified selector, an atomistic model has been obtained through extensive ab initio calculations. The effect of selector modification is then evaluated via simulations of the modified interface in the presence of target analytes. Simulation results show that the separation factors are increased for the modified CSPs but in some cases elution orders are reversed. The Whelk-O1 CSP was originally designed to separate naproxen [W.H. Pirkle, C.J. Welch, B. LAmm, J. Org. Chem. 57 (1992) 3854]. With this in mind, molecular dynamics simulations of naproxen are compared for the original, and the modified, selectors.     

一种基于时间的机器人 装配任务规划方法

采用时间Petri网,针对有代表性的柔性装配单元的任务规划问题进行建模。计算了顺序和并行作业的时间消耗,并在此基础上提出了任务规划的时间优化算法。该项研究可针对作业任务的需要自动产生不同的装配序列以达到是的时间消耗,该方法还适用于对装配系统布局进行性能评价,并可用于指导装配系统设计。     

多温控温度制度在邯钢CSP加热炉的应用

本文简单介绍了多温控温度制度在邯钢CSP加热炉的应用过程并分析了其使用后的技术和经济效果。