手性指数的研究及其应用

该工作对手性化合物的构效关系进行了研究,其内容包括:(1)对二维拓扑指数Ami进行了扩展,即在指数的衍生中加入手性碳原子的因素,使之成功地应用于14个手性化合物活性的预测;(2)描述了构象独立的手性指数(CICC法)和构象依赖的手性指数(CDCC法),采用CDCC和CICC预测了80个二级醇的1H NMR化学位移差的符号,并由此可以确定该类化合物的绝对构型;(3)描述了原子构象依赖的手性指数(aCDCC),并将这种方法用于手性仲醇的α-碳原子的13C NMR在不同手性溶剂中的化学位移差的预测,获得了满意的结果.     

Analysis of n + 6Li Reactions Using the Continuum-Discretized Coupled-Channels Method

The n + ⁶Li reactions are important not only from the basic interest but also from the application point of view. We study ⁶Li breakup reactions at incident neutron energies of 11.5, 14.1, and 18.0MeV applying a d + α cluster model to ⁶Li and using the continuum-discretized coupled-channels (CDCC) approach. At the present energies, our calculation well reproduces the experimental data. This successful result indicates the reliability of the CDCC approach based on the cluster model to the nuclear reaction evaluation of light nuclear reactions.     

Mass transfer and hydrodynamic characteristics in a co‐current downflow contacting column

Hydrodynamic and mass transfer characteristics of water–air system in a co‐current downflow contacting column (CDCC) were studied for various nozzle diameters at different superficial gas velocities and liquid re‐circulation rates. Gas hold‐up and liquid‐side mass transfer coefficient increased with increasing superficial gas velocity and liquid flow rate but decreased with increasing nozzle diameter. It is shown that correlations developed, which are based on liquid kinetic power per liquid volume present in the column, and superficial gas velocity explains gas hold‐up and the mass transfer coefficient within an error 20% for all gas and liquid flow rates and nozzle diameters used. The constants of correlations for gas hold‐up and mass transfer coefficient were found to be considerably different from other gas–liquid contacting systems. © 2003 Society of Chemical Industry     

Gas–liquid interfacial area and mass transfer coefficient in a co‐current down flow contacting column

The gas–liquid interfacial area and mass transfer coefficient for absorption of oxygen from air into water, aqueous glycerol solutions up to 1.5% (w/w) and fermentation medium containing glucose up to a 3% concentration were determined in a co‐current down flow contacting column (CDCC; 0.05 m i.d. and 0.8 m length). Experimental studies were conducted using various nozzle diameters at different gas and re‐circulation liquid rates. Specific interfacial area (a) is determined from the fractional gas hold‐up (ε_G) and the average bubble diameter (d_b). Once the interfacial area is determined, the volumetric mass transfer coefficient (k_La) is then used to evaluate the film mass transfer coefficient in the CDCC. The effects of operating conditions and liquid properties on the specific interfacial area were investigated. The values of interfacial area in air–aqueous glycerol solutions and fermentation media were found to be lower than those in the air–water system. As far as experimental conditions were concerned, the values of interfacial area obtained from this study were found to be considerably higher than those of the literature values of conventional bubble columns. The penetration theory is used to interpret the film mass transfer coefficient and results match the experimental k_L data reasonably well. Copyright © 2006 Society of Chemical Industry