分子模拟技术在乳化沥青研究中的应用

利用分子模拟技术对乳化沥青的乳化和稳定机制进行研究。选用结构不同的基质沥青,基于改进的B-L法,构建三维无定型平均结构;利用分子模拟软件构建水/乳化剂/沥青体系进行分子动力学模拟;通过界面形成能、界面层厚度、扩散系数等参数研究沥青与乳化剂相互作用对油水界面性质的影响。结果表明:分子模拟技术能够有效表征乳化沥青乳化和稳定机制;随着乳化剂用量的增加,界面形成能增大、界面层厚度增加、分子扩散系数变小,乳化剂单层膜的稳定性增加,降低油水界面张力的能力增强;对于不同的沥青体系,具有高芳碳率、高环烷碳率、高芳香环缩合度、低烷基碳率的沥青与乳化剂的相互作用越强,界面形成能绝对值越大、界面层厚度越大、扩散系数越小,乳化剂降低沥青/水界面能量的能力越强。     

基于模块化多电平换流器电容均压控制的环流抑制策略

针对模块化多电平换流器(modular multilevel converter,MMC)子模块电压波动导致相间环流过大的问题,在设计MMC子模块均压的基础上,提出一种将低通滤波器与并联的多个准比例谐振(quasi proportional resonant,QPR)控制器结合的新型环流抑制器.首先介绍MMC基本拓扑结...     

Modeling of pedestrian evacuation based on the particle swarm optimization algorithm

By applying the evolutionary algorithm of Particle Swarm Optimization (PSO), we have developed a new pedestrian evacuation model. In the new model, we first introduce the local pedestrian’s density concept which is defined as the number of pedestrians distributed in a certain area divided by the area. Both the maximum velocity and the size of a particle (pedestrian) are supposed to be functions of the local density. An attempt to account for the impact consequence between pedestrians is also made by introducing a threshold of injury into the model. The updating rule of the model possesses heterogeneous spatial and temporal characteristics. Numerical examples demonstrate that the model is capable of simulating the typical features of evacuation captured by CA (Cellular Automata) based models. As contrast to CA-based simulations, in which the velocity (via step size) of a pedestrian in each time step is a constant value and limited in several directions, the new model is more flexible in describing pedestrians’ velocities since they are not limited in discrete values and directions according to the new updating rule.     

Flexible unsmoothed cuticles of soil animals and their characteristics of reducing adhesion and resistance

Based on observing and analyzing the typical soil animals, the flexible unsmoothness is defined, which is the moving unsmoothness made by the flexible deformation of the structural units, and its characteristics of reducing adhesion and resistance is analyzed. The tests show that on the same conditions, compared with 45 Steel, the adhesion of the field-mouse’s fur is reduced by about 35%, its sliding resistance is reduced by about 80%.     

快速石墨炉原子吸收法测定地面水中痕量铜和铅

本文探讨了用快速石墨炉原子吸收法测定地面水中痕量铜和铅。系统地研究了石墨炉升温程序及基体改进剂对测定的影响。提出了删去灰化步骤 ,在不需要基体改进剂情况下快速测定环境清洁地面水中铜和铅的方法。铜和铅的方法检出限分别为 0 9μg·L- 1 和 1 2 μg·L- 1 。相对标准偏差 (RSD) (n =1 )分别为 2 5 %和 4 1 %,加标回收率分别在 96 0 %～ 97 2 %和 90 0 %～ 92 0 %之间。     

建设和谐校园必须解决大学生贫富分层问题

通过对六所地方高校大学生贫富分层问题进行调查,分析、总结了新时期高校大学生贫富分层问题带来的消极影响及其成因,并提出了解决问题的对策.     

An Experimental Investigation of Cathode Spot Motion in a Magnetically Rotating Arc Plasma Generator at Atmospheric Pressure

Plasma Chemistry and Plasma Processing - Cathode spots present complex forms in magnetically rotating arc plasma generators due to the coupling effect of the plasma flow and electromagnetic fields....     

Enhanced Adsorption of Sulfonamides by Attapulgite-Doped Biochar Prepared with Calcination

The extensive use of sulfonamides seriously threatens the safety and stability of the ecological environment. Developing green inexpensive and effective adsorbents is critically needed for the elimination of sulfonamides from wastewater. The non-modified biochar exhibited limited adsorption capacity for sulfonamides. In this study, the attapulgite-doped biochar adsorbent (ATP/BC) was produced from attapulgite and rice straw by calcination. Compared with non-modified biochar, the specific surface area of ATP/BC increased by 73.53–131.26%, and the average pore width of ATP/BC decreased 1.77–3.60 nm. The removal rates of sulfadiazine and sulfamethazine by ATP/BC were 98.63% and 98.24%, respectively, at the mass ratio of ATP to rice straw = 1:10, time = 4 h, dosage = 2 g∙L⁻¹, pH = 5, initial concentration = 1 mg∙L⁻¹, and temperature = 20 °C. A pseudo-second-order kinetic model (R² = 0.99) and the Freundlich isothermal model (R² = 0.99) well described the process of sulfonamide adsorption on ATP/BC. Thermodynamic calculations showed that the adsorption behavior of sulfonamides on the ATP/BC was an endothermic (ΔH > 0), random (ΔS > 0), spontaneous reaction (ΔG < 0) that was dominated by chemisorption (−20 kJ∙mol⁻¹ > ΔG). The potential adsorption mechanisms include electrostatic interaction, hydrogen bonding, π–π interaction, and Lewis acid–base interactions. This study provides an optional material to treat sulfonamides in wastewater and groundwater.     

Quaternary Sulfide Ba6Zn6ZrS14: Synthesis,Crystal Structure,Band Structure,and Multiband Physical Properties

Ba₆Zn₆ZrS₁₄ was synthesized by a traditional salt‐melt method with KI as flux. The pale yellow crystals of Ba₆Zn₆ZrS₁₄ crystallize in the tetragonal space group I4/mcm with a=16.3481 (4) Å and c=9.7221(6) Å. The structure features unique one‐dimensional parallel [Zn₆S₉]^6? and [ZrS₅]^6? straight chains. The D_2h‐symmetric [Zn₆S₉]^6? cluster serves as the building block of the [Zn₆S₉]^6? chains. A powder sample was investigated by X‐ray diffraction, optical absorption, and photoluminescence measurements. The compound shows multiple‐absorption character with three optical absorption edges around 1.78, 2.50, and 2.65 eV, respectively, which are perfectly consistent with the results of first‐principles calculations. Analysis of the density of states further revealed that the three optical absorption bands are attributable to the three S(3p⁶)→Zr(4d⁰) transitions due to the splitting of the Zr 4d orbitals in the D_4h crystal field. The multiband nature of Ba₆Zn₆ZrS₁₄ also results in photocatalytic activity under visible‐light irradiation and three band‐edge emissions.     

Structure Re‐determination and Superconductivity Observation of Bulk 1T MoS2

2H MoS₂ has been intensively studied because of its layer‐dependent electronic structures and novel physical properties. Though the metastable 1T MoS₂ with a [MoS₆] octahedron was observed over the microscopic area, the true crystal structure of 1T phase has not been strictly determined. Moreover, the true physical properties have not been demonstrated from experiments owing to the challenge for the preparation of pure 1T MoS₂ crystals. 1T MoS₂ single crystals were successfully synthesized and the crystal structure of 1T MoS₂ re‐determined from single‐crystal X‐ray diffraction. 1T MoS₂ crystallizes in the space group P m1 with a cell of a=b=3.190(3) Å and c=5.945(6) Å. The individual MoS₂ layer consists of MoS₆ octahedra sharing edges with each other. More surprisingly, the bulk 1T MoS₂ crystals undergo a superconducting transition of T_c=4 K, which is the first observation of superconductivity in pure 1T MoS₂ phase.