Theoretical investigation of imidazolium based ionic liquid/alcohol mixture: a molecular dynamic simulation

In this work, molecular dynamic simulation of the mixture of imidazolium based ionic liquids with alcohols is implemented in order to investigate mixing excess properties and some structural and physical properties of the mixture. Excess volumes and enthalpies are evaluated for 11 different mole fractions of ionic liquids at each 0.1, in the range of 0 to 1. Radial distribution function, cohesive energy density, potential of mean force, solvation energy, and diffusion coefficient are reported and analysed. The effects of the cationic alkyl chain length, in comparison with changes of the anions, on these properties are reported. Results reveal that the methanol molecule participates with its hydrophilic characteristics in the mixing process and tends to aggregate around anion part of the ionic liquids, especially in the case of Cl.     

Preparation and Characterization of Electroactive Anion‐Exchange Acrylic Polymer–Gold Composites

The characteristics and performance of an ionic polymer–metal composite (IPMC), prepared with an anion‐exchange acrylic copolymer, was examined. The acrylic copolymer was synthesized by the radical copolymerization of fluoroalkyl methacrylate and 2‐(dimethyl amino)ethyl methacrylate(AMA). Effects of the AMA repeating unit's content in the copolymer and effects of the anion type present on the actuation of the IPMC were observed. The optimal content of 19.4 wt% AMA in the IPMC copolymer yielded the best actuation. The actuation also improved according to the type of anion present in the composite, in the following order: Br^???4 ^?.     

单锥形纳米孔的制备和离子传导特性研究

用荷能重离子径迹刻蚀的方法在高分子多聚物膜 (PET) 上制备出单锥形纳米孔. 刻蚀过程通过监测跨膜电流来控制, 最大刻蚀电流I_max不同, 得到的锥形孔小孔孔径也不同. 研究单锥形纳米孔在KCl 溶液中的I-V曲线发现, 单锥形纳米孔的离子传导呈现出不对称特性, 该现象称为整流效应, 整流系数γ大小随纳米小孔孔径大小和电解质溶液浓度而变化. 关键词： 径迹刻蚀 纳米孔 离子传导 整流系数     

Densification and lithium ion conductivity of garnet-type Li7-xLa3Zr2-xTaxO12 （x=0.25） solid electrolytes

The garnet-type Li7La3Zr2O12 ceramic is a promising solid electrolyte for all-solid-state secondary lithium batteries. However, it faces the problem of lithium volatilization during sintering, which may cause low density and deterioration of ionic conductivity. In this work, the effects of sintering temperature and addition on the density as well as the lithium ion conductivity of Li7-xLa3Zr2-xTaxO12 (LLZTO, x=0.25) ceramics prepared by solid state reaction have been studied. It is found that optimization of the sintering temperature leads to a minor increase in the ceramic density, yielding an optimum ionic conductivity of 2.9×10-4 S·cm-1 at 25℃. Introduction of Li 3 PO 4 addition in an appropriate concentration can obviously increase the density, leading to an optimum ionic conductivity of 7.2×10-4 S·cm-1 at 25℃. This value is superior to the conductivity data in most recent reports on the LLZTO ceramics.     

Periodic structures and scaling Laws in a magnetic colloid

Summary Phase separation was found in an eicosane-based ferrofluid in zero applied field. Upon applying a magnetic field, the condensed phase breaks up to form a lattice of periodic columns. The periodicity λ scales with the layer thicknessL. Two scaling regimes were found. When thickness is small, where no branching is observed, λ ∞L ^1/2. In the large-thickness regime, a tree type of structure develops at the tail of each column, and the columns are separated by side bands while the scaling relation crosses over to λ ∞L ^2/3. Paper presented at the I International Conference on Scaling Concepts and Complex Fluids, Copanello, Italy, July 4–8, 1994. this work is in collaboration with Hao Wang, Yun Zhu, C. Boyd, A. Cebers and R. E. Rosensweig.     

Enhanced conductivity in ionic conductor-insulator composites: numerical models in two and three dimensions

We describe a two-dimensional (2D) and a three-dimensional (3D) percolation model for ionic conductor-insulator composites such as copper(I) bromide-titanium dioxide (CuBr-TiO₂) or lithium iodide-alumina (LiI-Al₂O₃). These composites present an enhanced conductivity closely related to the insulator concentration. This effect is explained by the formation of highly conducting space charge regions near the phase boundaries which are represented by good conductor bonds. Our numerical model takes into account grain size and correlation effects. The dimension has a leading role for the conduction properties. In the 2D case, the good conductor bonds do not percolate, whatever the insulator concentration, and the maximum conductivity of the composite samples is of the same order as that of the ionic conductor grains. The behavior of the system is very different in the 3D case where, for a large domain of composition, the good conductors percolate through the regions between the conductor grains. For the CuBr-TiO₂ composites the conductivity versus composition curve is bell-shaped. Conversely, in the LiI-Al₂O₃ system, a linear relation between the conductivity and the insulator volume fraction is obtained in the experiments. Our model gives a plausible interpretation of the conductivity in both systems. Received 10 April 2001     

Localization and Screening Enhancement in Asymmetric Binary Ionic Mixtures

The equation of state of binary ionic mixtures of similar ions, such as nitrogen, oxygen and carbon, has been extensively studied. The study of dense asymmetric mixtures, where Z₂ >> Z₁, has primarily focused on mixtures of hydrogen and iron at solar conditions. Using molecular dynamics simulations, we examine the behavior of highly asymmetric binary ionic mixtures, where the coupling of the high‐Z species may be orders of magnitude higher than the coupling of the low‐Z species. For the conditions we have studied, we find that strong correlations and signatures of solidification occur in the high‐Z species, while the low‐Z species exists as a freely flowing fluid within the high‐Z solid matrix. Solidification of the low‐Z species is correlated with the coupling between the two components. Using the Widom expansion method, we compute the plasma screening enhancement of the nuclear reaction rates for Z = 1 in a high‐Z matrix. We also provide some estimates of the coefficient of binary diffusion in the mixture. (© 2015 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

线-铝箔电极电晕放电激励器的推力理论与实验研究

空气电晕放电离子风激励器无需旋转部件, 仅通过消耗电能就能直接产生驱动力, 它是一种新型的动力技术, 备受国内外航空航天界的广泛关注. 目前对空气电晕放电离子风激励器的推力产生机理虽有各种解释, 但是现有理论均不能统一各种条件下的实验结果, 仍需要开展进一步的分析与研究. 本文以线-铝箔电极电晕放电激励器为研究对象, 通过实验研究发现作用在线电极与铝箔电极上的静电力不对称, 而且改变铝箔电极纵向高度和气压均能影响激励器的推力大小; 通过理论分析, 考虑电晕层与空间电荷的影响, 建立了线-铝箔电极电晕放电激励器的推力计算模型, 其计算值与实测值比较一致. 基于上述实验现象与理论建模分析, 本文认为线-铝箔电极电晕放电激励器的推力主要来源于线电极电晕产生的空间电荷对电极系统产生了不对称静电力作用, 使激励器出现净静电力作用.     

氯铝酸离子液体的酸性及其催化烷基化反应研究

分别采用吡啶探针和乙腈探针红外光谱法研究了氯铝酸离子液体的酸性,结合固体酸表征方法,研究了离子液体的酸性对吡啶探针各振动模式的影响。发现当氯铝酸离子液体AlCl₃的摩尔分数x为0.4～0.5时,离子液体显弱Lewis酸性,强碱性吡啶探针分子能很好地表征离子液体的酸性,而弱碱性乙腈探针分子只适用于表征酸性较强的离子液体。考察了氯铝酸离子液体酸强度对苯与长链烯烃烷基化反应的影响,结果发现,AlCl₃的摩尔分数x≤ 0.5时,离子液体没有催化活性;x>0.55时,随着离子液体酸性的增强,烯烃转化率升高,但2位烷基苯选择性下降。结合离子液体的酸强度对烷基化反应机理进行初步分析认为具有催化活性的物质是强Lewis酸Al₂Cl-₇。     

Characterization of the smectic-A-hexatic-B transition in 65OBC by adiabatic scanning calorimetry

We investigated the smectic-A-hexatic-B (SmA-HexB) transition in the liquid-crystal n-hexyl-4-n-pentyloxybiphenyl-4-carboxilate (65OBC) with adiabatic scanning calorimetry. We were able to prove in a direct way that this transition is indeed very weakly first order, as was already suggested in the literature. The latent heat at the transition was determined to be H_L = 0.04±0.02 J/g. Our experiments confirm the high value for the heat capacity critical exponent earlier reported, yielding = 0.64±0.05.