Adsorption of water molecules in slit pores

We report molecular dynamics (MD) simulations on the adsorption of water in attractive and repulsive slit pores, where the slit and a bulk region are in contact with each other. Water structure, surface force and adsorption behavior are investigated as a function of the overall density in the bulk region. The gas–liquid transition in both types of pores occurs at similar densities of the bulk region.     

气固吸附等温线的研究进展

综述了近些年来在气固吸附理论研究领域对吸附等温线的研究进展。论述了从早期的BDDT的5种类型吸附等温线，到IUPAC的6种类型吸附等温线，再到基于Ono-kondo晶格模型的Gibbs吸附分类的5种类型吸附等温线．讨论了与各种类型吸附等温线类型相对应的吸附机理，并对滞留回环现象进行了解释和分析。     

Theoretical study of the effect of frit quality on chromatography using computational fluid dynamics

Summary Frits at both ends of a chromatographic column, especially for a preparative column, have significant influence on the flow distribution within the column and thus the column efficiency. However, frits have received little attention from chromatographers in the past. Here a theoretical study was conducted with the aid of CFD software FLUENT to investigate the effect of frits on the performance of homogeneous and heterogeneous chromatographic columns. A dimensionless number,FQ, was applied to characterize frit quality. This study visualized how frit quality affects the flow distribution and the concentration band, the shape of eluted pulse at the colum exit and column efficiency. Simulation results show that the development length of the flow distribution is related toFQ but has nothing to do with the packing heterogeneity. The curvature of the concentration band in a column depends onFQ and packing quality. This study shows column efficiency can be improved significantly by increasingFQ and/or frit permeability.     

超高交联吸附树脂吸附对硝基苯乙酮的热力学研究

比较两种超高交联聚苯乙烯吸附树脂NJ-8、AM-1与Amberlite XAD-4(以下简称XAD-4)对对硝基苯乙酮的静态吸附行为，根据吸附等温线研究了吸附热力学性质．在298～318K和研究的浓度范围内，NJ-8，AM-1、XAD-4对对硝基苯乙酮的吸附平衡数据符合Freundlich吸附等温方程．结果表明：吸附为放热过程，适当降低温度有利于吸附．计算了对硝基苯乙酮在NJ-8，AM-1、XAD-4树脂上的吸附焓变、自由能变，吸附熵变．对吸附行为作了合理的解释。     

有机分子与聚电解质静电吸附成膜特性研究

选取多种有机分子及聚电解质，采用静电吸附自组装法制备了聚电解质，聚电解质、聚电解质，有机分子、有机分子，有机分子的复合薄膜，讨论了这些体系的静电吸附成膜特性及其成膜机理．     

后交联型St-DVB大孔吸附树脂对低级醇类的吸附性能研究

分别在静态和动态条件下研究了Friedel—Crafs后交联型聚苯乙烯-二乙烯基苯(St-DVB)大孔吸附树脂对水溶液中多种低级一元醇的吸附性能，测定静态吸附等温线和动态吸附曲线，并分别按照Langmuir和Freundlich模型进行拟合．结果显示，树脂对水中低浓度低级一元醇的吸附过程属于放热的物理吸附过程，树脂吸附能力随着一元醇碳原子数的增加，即分子内疏水基团质量的增加而增加；树脂对直链醇的吸附能力稍强于同分异构的支链醇．     

我国区域绿色技术创新效率的分类测度和提升模式研究——基于非期望产出的SBM-SupSBM模型

本文首先运用考虑非期望产出的SBM-SupSBM模型估计我国各省市绿色技术创新效率并进行分类:稳定上升类、平稳类、大幅度波动类以及下降类。之后从企业内部和外部两方面对绿色技术创新效率提升的影响因素提出假设,着重考虑大幅度波动类别省份的效率提升。运用面板数据模型各影响因素进行验证,结论显示:企业规模对绿色技术创新效率波动较大的省份起到显著的抑制作用,环境规制和技术进步对绿色技术创新效率波动较大的省份作用不明显。针对分析结果,提出结论:在提升绿色技术创新效率的过程中,应注重企业规模和技术进步的协同作用,以及技术的开放程度。     

The Adsorption and Thermal Decomposition of CH2CO (CD2CO) on Si(111)-7 × 7

The adsorption and thermal decomposition of ketene on Si(l 11)-7 × 7 were investigated using various surface analysis techniques. When the surface was exposed to ketene at 120 K, two CO stretching modes at 220 and 273 meV appeared in HREELS, corresponding to two adsorbed ketene states. After the sample was annealed at ?250 K, the 273 and the 80 meV peaks vanished, indicating the disappearance of one of the adsorption states by partial desorption of the adsorbate. In a corresponding TPD measurement, a desorption peak for ketene species was noted at 220 K. Annealing the sample at 450 K caused the decomposition of the adsorbate, producing CH_x and O adspecies. Further annealing of the surface at higher temperatures resulted in the breaking of the CH bond, the desorption of H and O species and the formation of Si carbide. The desorption of H at 800 K was confirmed by the appearance of the D₂ (m/e = 4) TPD peak at that temperature when CD₂CO was used instead of CH₂CO.     

大孔树脂吸附法处理含苯肼工业废水的研究

以Hz-841大孔树脂为吸附剂,95%乙醇为脱附剂处理含苯肼4000~5000mg/L的工业废水,取得了理想的分离效果,苯肼吸附率>99.8%,树脂工作吸附量40~50g/L。