Modeling aqueous electrolyte solutions: Part 1. Fully dissociated electrolytes

Liquid densities (pvT), vapor pressures (VLE), and mean ionic activity coefficients (MIAC) at 25 °C of 115 single-salt electrolyte solutions containing univalent up to trivalent ions are modeled with the ePC-SAFT equation of state proposed by Cameretti et al. [L.F. Cameretti, G. Sadowski, J.M. Mollerup, Ind. Eng. Chem. Res. 44 (2005) 3355–3362; ibid., 8944]. For each ion, only two model parameters were adjusted to experimental density and MIAC data. Without using any additional binary parameters, ePC-SAFT is able to reproduce experimental data of the respective salt solutions up to high electrolyte molalities. Moreover, it is even able to describe the reversed MIAC series for alkali hydroxides and fluorides.     

Preparation and nonlinear optical properties of novel Y-type polyesters with highly enhanced thermal stability of second harmonic generation

3,4-Di-(2′-hydroxyethoxy)benzylidenemalononitrile (3) was prepared and condensed with terephthaloyl chloride and adipoyl chloride to yield novel Y-type polyesters (4-5) containing 3,4-dioxybenzylidenemalononitrile groups as NLO-chromophores, which constituted parts of the polymer main-chains. The resulting polymers 4-5 are soluble in common organic solvents such as acetone and N,N-dimethylformamide. They showed thermal stability up to 300 °C in thermogravimetric analysis with glass-transition temperatures obtained from differential scanning calorimetry in the range 89-91 °C. The second harmonic generation (SHG) coefficients (d₃₃) of poled polymer films at the 1064 nm fundamental wavelength were around 2.47 pm/V. The dipole alignment exhibited high thermal stability even at 10 °C higher than T_g, and there is no SHG decay below 100 °C due to the partial main-chain character of polymer structure, which is acceptable for NLO device applications.     

不同温度下脯氨酸在非水阴离子、阳离子及非离子型表面活性剂中的相互作用

Density and viscosity data of proline (Pro) in sodium dodecyl sulfate/cetyltrimethylammonium bromide/poly (oxyethylene) isooctyl phenyl ether in formamide were measured at 298.15, 303.15, 308.15, and 313.15K and 0.1MPa. The density data were utilized to evaluate standard partial molar volumes (φ0V) and partial molar isobaric expansibility (φ0E). The viscosity data were used to evaluate A-and B-coefficients, free energy of activation of viscous flow (⊿μ0*1) and (⊿μ0*2), per mole of solvent and solute respectively, enthalpy (⊿H*) and entropy (⊿S*) of activation of viscous flow. The results obtained were utilized in the qualitative elucidation of the Pro-surfactant/formamide and Pro-Pro interactions in the present systems.     

空气在二甲基硅油和液压油中的溶解度

对于诸多工程运用场合, 获得空气在硅油以及液压油中溶解度可靠的数据至关重要. 针对已有测量装置及方法的不足, 建立了一种基于理想气体状态方程来确定气体溶解量的新型精密活塞式装置. 获得了温度为293.2及353.2 K, 压力在0-350 kPa范围内, 空气在500cSt 二甲基硅油中的本生溶解度表达式. 测量了298.2 K时20cSt二甲基硅油及国产32#抗磨液压油在多种气相压力下的本生溶解度. 精度及可靠性分析表明实验数据的误差范围为6%. 本生溶解度与气相压力呈较好的线性关系, 以摩尔分数表示的溶解度与压力呈非线性关系, 但可用Krichevsky-Ilinskaya方程拟合. 发现空气在相对分子质量差异很大的两种二甲基硅油中的本生溶解度很接近, 由此提出, 对于小分子的非极性溶质在聚合物溶剂中的溶解度, 用聚合物单体的摩尔数而不是聚合物分子摩尔数来表示摩尔浓度更有利于实验数据的外推和工程应用. 对于相对分子质量差别较大或无法确定相对分子质量的溶剂, 工程应用中适宜采用本生溶解度.     

Experimental analysis and thermodynamic modelling of Nitroxynil solubility in pure solvent and binary solvent

Nitroxynil(NIT) is a commonly used anti-liver fluke drug for cattle and sheep, Its solubility is closely related to its preparation. In this work, the molar solubility of NIT in nine pure solvents (methanol, ethanol, 1,2-propanediolethyl, isopropanol, ethyl acetate, acetonitrile, n-butanol, phemethylol) and two kinds of binary mixtures with different ratio(ethanol + phemethylol; ethanol + acetonitrile) was determined by shake flask method over the temperature from 278.15 ～ 323.15 K at atmosphere pressure. Results show that the solubility of NIT in all tested solvents was increased with raised temperature. In mono-solvents, the mole fraction solubility of NIT was highest in phemethylol and the solubility order is: phemethylol > acetonitrile > ethyl acetate > methanol > n-butanol > ethanol > 1,2-propanediolethyl > isopropanol > water. In binary solvents, the mole fraction solubility increased with increasing ratio of phemethylol/acetonitrile. In mono-solvents, the modified Apelblat equation, λh equation, Van't Hoff model were applied to correlate the solubility data. In binary solvents, the modified Apelblat equation, λh equation, GSM model and Jouyban-Acree model were to correlate the solubility data. Solubility order of NIT in nine pure solvent and two binary solvent systems were analysed by using the Hansen solubility parameter (HSP). Activity coefficient was to access the solute–solvent molecular interactions. In addition, the dissolution of NIT is an endothermic and entropy-friendly process, since thermodynamic parameters such as enthalpy, entropy, and apparent standard Gibbs free energy are all greater than zero. The results will supply some essential data on recrystallization process, purification and formulation development of NIT in pharmaceutical applications.     

具有可反测地线的$(\alpha,\beta)$-度量

本文我们得到了$(\alpha,\beta)$-度量的测地系数$G^{i}(x,y)$和其逆$G^{i}(x,-y)$有相同Douglas曲率的充分必要条件.这个充分必要条件恰好是$(\alpha,\beta)$-度量具有可反测地线的充分必要条件.     

Electron transport near the Mott transition in n-GaAs and n-GaN

In this paper, we study the temperature dependence of the conductivity and the Hall coefficient near the metal–insulator phase transition. A theoretical investigation is performed within the effective mass approximation. The variational method is used to calculate the eigenvalues and eigenfunctions of the impurity states. Unlike previous studies, we have included nonlinear corrections to the screened impurity potential, because the Thomas–Fermi approximation is incorrect for the insulator phase. It is also shown that near the phase transition the exchange interaction is essential. The obtained temperature dependencies explain several experimental measurements in gallium arsenide (GaAs) and gallium nitride (GaN).     

Absorption characteristics of masjid carpets

This work investigated the absorption characteristics of eight types of carpets that are especially designed and manufactured for masjids and two types of carpets pads. Measurements were carried out in the reverberation room according to ISO 354. Each type was tested three times: first when it was installed directly on the floor, second when it was installed above 5.7 mm of polyurethane foam, and last when it was installed above 10 mm of polyethylene foam. The results showed that the absorption coefficient is directly proportional to frequency and knot density. The results also demonstrated that adding pads of polyurethane or polyethylene foam increased the absorption, principally in the mid-frequency range. The effect of polyurethane foam on absorption was higher than that of polyethylene foam. Finally, the absorption coefficients of the examined carpets were found to be close to those of Muslim worshippers when they are in the position known as “standing in rows”.