水和盐分子在反渗透膜内扩散过程的分子模拟

采用分子动力学模拟方法研究了水和盐分子(NaCl, MgCl2, CaSO4, K2SO4)在8种反渗透复合膜中的扩散状态及扩散系数. 并对膜材料的结构单体与水和盐分子在膜内扩散系数相关性进行了分析与讨论. 在所模拟的8种膜内, 随着膜种类的不同, 水分子在其中的扩散系数有明显的变化, 且扩散系数的变化规律与实验所得到的膜的水通量一一对应. NaCl分子中的Na+和Cl-在膜内的扩散速率不一致, 其扩散系数值在同种膜中相差较大, 且当盐分子单独存在时, 制约其在膜内扩散过程的离子只与膜种类有关, 与盐分子本身无关. 在同种膜中, 水分子的扩散过程不受体系中盐分子类型的影响.     

油纸复合介质中水分子扩散行为的分子动力学模拟

对不同温度下水分子在油纸复合介质中的扩散行为进行了分子动力学模拟研究. 通过分析水分子与纤维素形成的氢键发现, 油中的水分子在模拟过程中会逐渐扩散到纤维素内并与之形成氢键, 而纤维素内的水分子则与纤维素形成氢键后被束缚于纤维素中. 通过分析水分子的扩散系数发现, 由于油和纤维素的极性不同, 使得水分子在油和纤维素两种单介质中的扩散行为有较大差别, 而在复合介质中的扩散系数受水分子在油和纤维素中的比例影响较大, 两者表现出很强的相关性. 水分子和两介质的相互作用与两介质的极性也存在很大的关系, 且不同温度下水分子与两介质的相互作用能和水分子在油和纤维素中的比例也表现出了较强的相关性. 不同温度下水分子的不同分布弱化了温度对扩散系数的影响.     

用于放射性废水处理的高比表面多孔六氰合铁钛钾/二氧化硅小球的制备

采用一种新方法合成了由六氰合铁钛钾(PTH)与二氧化硅组成的多孔球形杂化材料。其过程分为两步：首先将无定型二氧化钛接枝于球形二氧化硅载体的孔壁上;然后利用TiO²⁺和K₄[Fe(CN)₆]的反应将孔道内的二氧化钛转化为PTH。所制备的杂化材料通过低温氮吸附、XRD、FTIR和XPS等方法进行了表征。结果表明PTH涂层被成功负载于二氧化硅小球的内部孔壁上。所得杂化材料在高酸度和高盐度的情况下仍然对Cs⁺离子表现出了很强的去除能力和很高的分配系数。     

Determination of Water Diffusion Coefficients and Dynamics in Adhesive/ Carbon Fiber Reinforced Epoxy Resin Composite Joints

To determinate the water diffusion coefficients and dynamics in adhesive/carbon fiber reinforced epoxy resin composite joints,energy dispersive X-ray spectroscopy analysis(EDX)is used to establish the content change of oxygen in the adhesive in adhesive/carbon fiber reinforced epoxy resin composite joints.As water is made up of oxygen and hydrogen,the water diffusion coefficients and dynamics in adhesive/carbon fiber reinforced epoxy resin composite joints can be obtained from the change in the content of oxygen in the adhesive during humidity aging,via EDX analysis.The authors have calculated the water diffusion coefficients and dynamics in the adhesive/carbon fiber reinforced epoxy resin composite joints with the aid of both energy dispersive X-ray spectroscopy and elemental analysis.The determined results with EDX analysis are almost the same as those determined with elemental analysis and the results also show that the durability of the adhesive/carbon fiber reinforced epoxy resin composite joints subjected to silane coupling agent treatment is better than those subjected to sand paper burnishing treatment and chemical oxidation treatment.     

Investigation of Rheological Properties of Polyacrylamide/Chromium Triacetate Hydrogels Performed for Water Shutoff Treatment in Oil Reservoirs

In this research, polyacrylamide-based gels were made at 25°C and aged in an oven at 90°C for 24 hours. The bottle testing results indicated that gel composed of 15000 ppm partially hydrolyzed polyacrylamide (PHPA) and 2500 ppm chromium(III) acetate exhibited an acceptable strength. The strain sweep test results showed that elastic modulus is fixed on 6 Pa below strain of 100%. According to frequency test results, linear viscoelasticity region was observed at the frequency limits from 0.1 to 10 s^?1. Moreover, elastic modulus decreased from 8 Pa at 25°C to 4 Pa at 90°C. Furthermore, gelation time for gelant with the same composition was obtained (14, 13, and 20 minutes) in sequence.     

Organic/Water Interface Electrochemistry for the Direct Detection of a Model Pesticide in Soybean Oil

An electrochemical methodology was applied directly at an organic/water interface to detect a pesticide directly in oil, without the necessity of pre‐treatment of the sample. The oil phase was composed of soybean oil contaminated with carbendazim (methyl‐2‐benzimidazolecarbamate), and the aqueous phase consisted of a conventional Britton? Robinson buffer with a pH of 2. A boron‐doped diamond (BDD) electrode was placed directly at the interface of the two immiscible liquids. The ionic strength played an important role in the oxidation of carbendazim in our interfacial studies, as indicated by the oxidation currents varying from zero to 12 µA, depending on the position of the electrode.     

Studies of Synergism in Binary Alkylbenzene Sulfonate Mixtures for Producing Low Interfacial Tensions at Oil/Water Interface

In order to study the synergism between alkybenzene sulfonate and alkybenzene sulfonate, five di-n-alkylbenzene sulfonates were used and the interfacial tensions of single sulfonates and their binary mixtures against a series of alkane homologues were measured. The effects of hydrophilic-lipophilic abilities of sulfonates and mixing ratio on synergism were discussed. It is revealed that the synergistic mechanism derives from the amelioration of the hydrophilic-lipophilic ability of the surfactant system, and the method to achieve synergism is adding the hydrophilic alkybenzene sulfonate to the lipophilic alkylbenzene sulfonate, and ultralow interfacial tensions can be obtained in proper mixing ratios. The results are useful for enhanced oil recovery.      

5 V锂离子电池正极材料LiNi0.5Mn1.5O4的合成与Li+在材料中的扩散性能

使用草酸盐共沉淀法合成了5 V正极材料LiNi0.5Mn1.5O4,研究了不同温度下合成的材料结构形貌与电化学性能之间的关系。结果表明,在900℃下合成的样品电化学性能最好,可逆放电容量达到133.0 mAh?g-1,经30周循环后,容量仍然保持在132.2 mAh?g-1,容量保持率高达99.4%。使用恒电位间歇滴定法(PITT)测定了锂离子在LiNi0.5Mn1.5O4材料中的扩散系数。结果表明,在LiNi0.5Mn1.5O4材料放电过程中,在不同电位嵌锂量不同,发生反应的氧化还原电对也不同,锂离子的扩散系数在不同的电位下也会有差别,扩散系数在10e-10 cm2?s-1~10e-11 cm2?s-1范围内变