WATER MOVEMENT CAUSED BY SPREADING SURFACTANTS IN UNSATURATED SYSTEMS OF PARTICLES OF NONUNIFORM SIZE

The movement of water originated by the spreading of two surfactants was analyzed in glass beads as well as on soil systems, both of particles of nonuniform size

The higher difference of surface tension produced in the system by 1 -hexadecanol compared to that of 1-tetradecanol led therefore to a higher amount of water moved. Decreased proportion of the smaller sized particles in glass beads system produced a decrease in the total water moved by both surfactants.

Organic matter acted in soil as a second surfactant in glass beads. This effect was compared in glass beads systems once 1-hexadecanol was evenly distributed among the particles as continuous film, which played a role alike that of organic matter in soil and then a second surfactant 1-tetradecanol was added. These additional surfactant effect diminished the difference between initial and final surface tension (surface tension depression) of the system and so the total water moved.

The soil organic matter (1.7%) modified the water movement curve in the presence of low (0.2g) content of 1-hexadecanol, whereas for high content of either alcohol (0.4g) or low content of 1-tetradecanol content (0.2g) the water movement curves were the same     

Synthesis,physicochemical characterization and biological activity of nano complexes of iron(III) of 3(2'‐hydroxyphenyl)‐5‐(4′‐substituted phenyl) pyrazolines and aspartic acid

Mixed ligand complexes of Iron(III) with aspartic acid and 3(2′‐hydroxy phenyl)‐5‐(4′‐substituted phenyl) pyrazolines of type [Fe(C₄O₄NH₆)₂(C₁₅H₁₂N₂OX)] and [Fe(C₄O₄NH₆)(C₁₅H₁₂N₂OX)₂], where (C₄O₄NH₆) = aspartate, (C₁₅H₁₂N₂OX) = deprotonated 3(2′‐hydroxyphenyl)‐5‐(4′‐substituted phenyl) pyrazolines (X = H, CH₃, OCH₃, Cl), have been synthesized. These newly synthesized derivatives have been physicochemically characterized by elemental analysis (C, H, N, Cl and Fe), magnetic moment data, thermogravimetric analysis, molar conductance, cyclic voltammetry, spectral analysis (UV–visible, IR, far IR and fast atom bombardment mass spectrometry). Scanning electron microscopy, transmission electron microscopy and X‐ray powder diffraction studies have been carried out for powdered samples, which show nanometric particles of these derivatives. Antibacterial and antifungal potential of free pyrazoline and some iron(III) complexes have been evaluated. Copyright © 2012 John Wiley & Sons, Ltd.     

蒙特卡罗计算中颗粒型燃料的随机分布模型比较

高温气冷堆是新一代反应堆系统的热门候选堆型，已经受到国际上越来越多的关注。为设计和分析这种堆型，因其特有的包覆颗粒燃料引入了双重非均匀性，需要应用随机分布模型。对粗网格模型、细网格随机(FLS)模型、随机顺序添加(RSA)模型、子网格随机(Sub-FLS)模型和Metropolis模型等进行了研究，通过计算分析比较给出了各种模型的优缺点。结果表明:子网格随机模型和连续的RSA模型非常接近参考值，但是连续RSA模型的建模时间随着燃料体积份额的增加连续快速上升。 Key words: coated particle fuels; stochastic transport model; Monte Carlo; random distribution     

Dynamic modeling of the morphology of latex particles with in situ formation of graft copolymer

Modification of the polymer–polymer interfacial tension is a way to tailor‐make particle morphology of waterborne polymer–polymer hybrids. This allows achieving a broader spectrum of application properties and maximizing the synergy of the positive properties of both polymers, avoiding their drawbacks. In situ formation of graft copolymer during polymerization is an efficient way to modify the polymer–polymer interfacial tension. Currently, no dynamic model is available for polymer–polymer hybrids in which a graft copolymer is generated during polymerization. In this article, a novel model based on stochastic dynamics is developed for predicting the dynamics of the development of particle morphology for composite waterborne systems in which a graft copolymer is produced in situ during the process. © 2012 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem, 2012     

Shear modulus determination in model hydrogels by means of elongated magnetic nanoprobes

The mechanical characterization of complex soft matter by quasi-static magnetometry using nanoscopic magnetic probes is demonstrated for model hydrogels doped with two types of elongated magnetic nanoparticles. Chemically crosslinked poly(acrylamide) (PAAm) hydrogels serve as the matrix in which nickel nanorods or weakly magnetized hematite (α-Fe₂O₃) ellipsoids are embedded as local probes. We investigated the swelling behavior of the ferrogels in order to verify that their equilibrium swelling degree in water is not influenced by the probes, shows a good correlation with the Frenkel–Flory–Rehner model. The proposed magnetomechanical method relies on a correlation between the shear modulus of the PAAm hydrogel matrix and the coercive fields of the corresponding isotropic ferrogels. By extending the Stoner–Wohlfarth model for single-domain blocked magnetic particles by a term for particle rotation in an elastic matrix, information on the shear modulus of the matrix can be obtained. Comparison of the results with the expected relation from rubber elasticity theory illustrates both the general potential as well as the limits of the approach. © 2012 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys, 2012     

Influence of staff number and internal constellation on surgical site infection in an operating room

Prediction of bacteria-carrying particle (BCP) dispersion and particle distribution released from staff members in an operating room (OR) is very important for creating and sustaining a safe indoor environment. Postoperative wound infections cause significant morbidity and mortality, and contribute to increased hospitalization time. Increasing the number of personnel within the OR disrupts the ventilation airflow pattern and causes enhanced contamination risk in the area of an open wound. Whether the amount of staff within the OR influences the BCP distribution in the surgical zone has rarely been investigated. This study was conducted to explore the influence of the number of personnel in the OR on the airflow field and the BCP distribution. This was performed by applying a numerical calculation to map the airflow field and Lagrangian particle tracking (LPT) for the BCP phase. The results are reported both for active sampling and passive monitoring approaches. Not surprisingly, a growing trend in the BCP concentration (cfu/m³) was observed as the amount of staff in the OR increased. Passive sampling shows unpredictable results due to the sedimentation rate, especially for small particles (5–10 μm). Risk factors for surgical site infections (SSIs) must be well understood to develop more effective prevention programs.     

SPH方法研究空气在平板入水中的影响

飞机水上迫降以及船体在高速行驶时,均会发生结构物砰击水面的现象,当结构物底面较为平坦,砰击水面时会捕获空气,在板底形成空气垫。研究空气垫的形成及影响,有助于对结构物进行更准确的载荷分析。该问题的研究涉及到气固液三相的相互作用,在数值模拟中仍是一个挑战,本文使用光滑粒子流体动力学(SPH)方法对该问题进行模拟。首先,与实验结果进行对比;其次,系统地研究了平板形成空气垫以及砰击水面的过程,考查了空气、水和平板的动能变化。对比了在SPH模拟中考虑空气与不考虑空气得到的水压力场和平板所受压力,说明了空气对结果的影响;最后,研究了平板宽度对空气垫形成的影响,从而进一步影响加速度。     

A moving particle semi‐implicit method for free surface flow: Improvement in inter‐particle force stabilization and consistency restoring

The moving particle semi‐implicit (MPS) method has been widely applied in free surface flows. However, the implementation of MPS remains limited because of compressive instability occurred when the particles are under compressive stress states. This study proposed an inter‐particle force stabilization and consistency restoring MPS (IFS‐CR‐MPS) method to overcome this numerical instability. For inter‐particle force stabilization, a hyperbolic‐shaped quintic kernel function is developed with a non‐negative and smooth second order derivative to satisfy the stability criterion under compressive stress state. Then, a contrastive study is conducted on the contradiction between the common understanding of the conventional MPS hyperbolic‐shaped kernel function and its performance. The result shows that the conventional MPS hyperbolic‐shaped kernel function can easily cause violent repulsive inter‐particle force and then lead to the compressive instability. Therefore, the first order derivative of the modified hyperbolic‐shaped quintic kernel function is recommended as the form of the contribution of the neighbor particles to achieve a more stable inter‐particle repulsive force. For consistency restoring, the Taylor series expansion and the hyperbolic‐shaped quintic kernel are combined to improve the accuracy of the viscosity and pressure calculation. The IFS‐CR‐MPS algorithm is subsequently verified by the inviscid hydrostatic pressure, jet impacting, and viscous droplet impacting problems. These results can be used for choosing kernel function and the contribution of neighbor particles in particle methods. Copyright © 2016 John Wiley & Sons, Ltd.     

冷冻电镜技术——2017年诺贝尔化学奖介绍

介绍了2017年诺贝尔化学奖的3位获得者在冷冻电镜领域的主要贡献，同时介绍了冷冻电镜技术的用途、一般工作流程和其局限性，以及中国学者在冷冻电镜技术应用研究中的贡献。     

托卡马克中局域磁扰动引起的高能量离子损失研究

基于单粒子导心运动代码ORBIT，采用测试粒子模拟方法，研究了托卡马克等离子体内部不同径向位置处局域磁场扰动对高能量离子的损失的影响。研究表明，在局域磁扰动主要分布在某磁面附近、其环向具有类似纹波场形式下，可造成一些靠近等离子体中心区域的高能量离子损失，但对靠近等离子边界的离子损失影响相对不大。这些损失的高能量离子均为捕获离子，离子的投掷角越大就越容易损失。此外，造成高能量离子最大损失率的局域场径向位置与这些损失离子的初始径向位置通常存在一定的偏移，而且这个偏移与这些离子的能量密切相关。当局域场出现在某些位置时，能量较低的离子会有一定的损失，能量较高的离子反而不会损失。