Molecular entity vacancy model

A novel molecular entity vacancy model was proposed to describe thermodynamic properties in a multicomponent solution system using its binary interaction parameters only. A derivation of the model for its general expression has been shown in detail. Under some special conditions, this model may be reduced to Flory–Huggins equation, Wilson equation and non-random two liquids (NRTL) equation as well as molecular interaction volume model (MIVM), respectively, and can be verified by Gibbs–Duhem equation, and can express thermodynamic properties of partially miscible systems. The predicted activities are in good agreement with experimental data of some liquid alloys. The results show that the model is of better predictability and reliability because it has a certain physical basis.     

273.15 K下Li2B4O7-LiCl-H2O体系热力学性质的等压研究及离子作用模型

用等压法研究了273.15 K下Li₂B₄O₇-LiCl-H₂O体系不同质量摩尔浓度分数的等压平衡浓度和水活度; 计算了LiCl和Li₂B₄O₇混合盐溶液的渗透系数等热力学性质. 用273.15 K下的实验数据对Pitzer离子相互作用模型进行了参数化研究, 拟合求取了273.15 K下Pitzer离子相互作用参数, 用获得的参数计算了LiCl和Li₂B₄O₇在Li₂B₄O₇-LiCl-H₂O体系中的活度系数. 273.15 K下由相应的Pitzer模型计算的渗透系数值与实验结果一致. 这对完善含锂、硼盐湖卤水体系的热力学模型具有重要意义.     

Dependence of the activity of a rhizopus lipase on microemulsion composition

Enzymatic hydrolysis of a model triglyceride, palm oil, was carried out with lipase fromRhizopus sp. in microemulsions with varying water content. The microemulsions were based on a nonionic surfactant, pentaethylene glycol monododecyl ether (C12 EO5), buffered water solution and an oil component consisting of isooctane and palm oil at a weight ratio of 20:1. The structure of the microemulsions was characterized using Fourier transform pulsed-gradient spin-echo¹H NMR. The rate of reaction decreased as the water content of the reaction medium was increased. The self-diffusion coefficient of water, D_w was found to be constant within the interval 1–20% water. The difference in reactivity is believed to be due to a difference in structure of the palisade layer between water and hydrocarbon microdomains. The nonionic surfactant was demonstrated to be unsuitable for enzymatic reactions since only partial hydrolysis was obtained in all experiments. The surfactant, however, did not cause enzyme deactivation, even at very high concentrations.     

Efficient synthesis of magnetic nanoparticle-Musa acuminata peel composite for the adsorption of anionic dye

The impregnation of magnetite (Mt) nanoparticle (NPs) onto Musa acuminata peel (MApe), to form a novel magnetic combo (MApe-Mt) for the adsorption of anionic bromophenol blue (BPB) was studied. The SEM, EDX, BET, XRD, FTIR and TGA were used to characterize the adsorbents. The FTIR showed that the OH and CO groups were the major sites for BPB uptake onto the adsorbent materials. The average Mt crystalline size on MApe-Mt was 21.13 nm. SEM analysis revealed that Mt NPs were agglomerated on the surface of the MApe biosorbent, with an average Mt diameter of 25.97 nm. After Mt impregnation, a decrease in BET surface area (14.89 to 3.80 m²/g) and an increase in pore diameter (2.25–3.11 nm), pore volume (0.0052–0.01418 cm³/g) and pH point of zero charge (6.4–7.2) was obtained. The presence of Pb(II) ions in solution significantly decreased the uptake of BPB onto both MApe (66.1–43.8%) and MApe-Mt (80.3–59.1%), compared to other competing ions (Zn(II), Cd(II), Ni(II)) in the solution. Isotherm modeling showed that the Freundlich model best fitted the adsorption data (R² > 0.994 and SSE < 0.0013). In addition, maximum monolayer uptake was enhanced from 6.04 to 8.12 mg/g after Mt impregnation. Kinetics were well described by the pseudo-first order and liquid film diffusion models. Thermodynamics revealed a physical, endothermic adsorption of BPB onto the adsorbents, with ΔH^o values of 15.87–16.49 kJ/mol, corroborated by high desorption (over 90%) of BPB from the loaded materials. The viability of the prepared adsorbents was also revealed in its reusability for BPB uptake.     

Rate Coefficient for Self-Association Reaction of CF2 Radicals Determined in the Afterglowof Low-Pressure C4F8 Plasmas

We have analyzed decay kinetics of CF₂ radicals in the afterglow of low-pressure, high-density C₄F₈ plasmas. The decay curve of CF₂ density has been approximated by the combination of first- and second-order kinetics. The surface loss probability evaluated from the frequency of the first-order decay process has been on the order of 10^–4. This small surface loss probability has enabled us to observe the second-order decay process. The mechanism of the second-order decay is self-association reaction between CF₂ radicals (CF₂+CF₂C₂F₄). The rate coefficient for this reaction has been evaluated as (2.6–5.3)×10^–14 cm³/s under gas pressures of 2 to 100 mTorr. The rate coefficient was found to be almost independent of the gas pressure and has been in close agreement with known values, which are determined in high gas pressures above 1 Torr.     

关于河道一维非恒定流水温预测模型的研究

作者在全面地分析影响河道水温变化各种因素的基础上，根据大渡河流域实测资料所推荐的有关计算纵向离散系数的经验公式．确定了一种适宜于河道一维非恒定流水温的预测模型．作者运用此模型预测了水库下泄低温水、火电厂温排水对下游水环境的影响及其应用价值，其结果可为制定水库生态用水调度方案和流域开发的环境影响评价提供科学依据．     

对饱和土孔隙压力系数的探讨

在三轴试验基础上提出采用归纳定义方法来确定孔隙压力关系方程，其结论与根据弹性力学理论推导的结论是一致的，并指出了弹性力学理论推导过程中存在的不严密之处和理论适应性问题．     

物理规律的协变性和可变性

应用牛顿第二定律和伽利略变化以及洛伦兹变化建立了相对论动力学基本方程，根据电磁场的麦克斯韦方程推出了交变电磁场的波动方程．然后，根据伽利略变换和洛伦兹变换以及参考系变化时物理规律数学表达形式变化的特性，详细分析了某些物理规律的协变性和可变性．结果表明：相对论动力学方程、质点系的动能定理、洛伦兹公式、交变电磁场的波动方程和麦克斯韦方程组具有协变性．而牛顿第二定律、机械能守恒定律、理想气体状态方程、玻意耳定律、盖吕萨克定律、查理定律、气体分子的麦克斯韦速度分布律、热力学第一定律、静电场的库仑定律和高斯定理以及环路定理、静磁场的毕奥-萨伐尔定律和高斯定理以及安培环路定理、德布罗意波长、薛定谔方程具有可变性．     

关于污染线性回归模型参数估计的注记

文[1] 、[2] 研究了简单回归模型中响应变量受到另一随机变量序列污染时，模型参数和污染系数的估计方法，但在 利用误差的不同阶矩估计给出污染系数的估计时发生了错误。我们证明了这种方法是行不通的。     

基于相关系数的正、负关联规则挖掘算法

负关联规则描述的是项目之间的互斥关系，它与传统的正关联规则有着同样重要的作用。然而，大多规则挖掘算法只能挖掘正规则而忽略了负规则的挖掘。本文利用统计学中相关系数的理论，提出一个能同时挖掘正、负关联规则的算法，实验表明该算法是有效的。