半水磷石膏的晶型、形貌及胶凝性能的影响因素研究

考察了半水法湿法磷酸工艺参数液相SO42-浓度,反应温度,磷酸浓度、磷矿粉掺量以及搅拌速度对半水磷石膏晶型、形貌及胶凝性能的影响.结果表明:影响半水磷石膏晶型的主要因素是液相SO42-浓度、反应温度以及磷酸浓度.半水磷石膏颗粒主要是以不同取向的六方柱状半水硫酸钙晶体的聚晶形式存在.工艺参数对半水硫酸钙的晶体形貌有不同程度的影响,其中液相SO42-浓度对晶体形貌影响最大.从兼顾半水法湿法磷酸生产工艺及调控半水磷石膏胶凝性能的角度出发,提出优化的生产工艺条件:磷酸溶液P2O5质量分数36;,磷矿粉掺量质量分数15.3;,液相SO42-浓度20 mg·mL-1,反应温度95℃,搅拌速度135 r · min-1.在此工艺条件下,半水法湿法磷酸工艺可以副产出具有较好胶凝性能的半水磷石膏,抗折强度2.75 MPa,抗压强度5.28 MPa.     

Scalar Statistics along Inertial Particle Trajectory in Isotropic Turbulence

The statistics of a passive scalar along inertial particle trajectory in homogeneous isotropic turbulence with a mean scalar gradient is investigated by using direct numerical simulation. We are interested in the influence of particle inertia on such statistics, which is crucial for further understanding and development of models in non-isothermal gas-particle flows. The results show that the scalar variance along particle trajectory decreases with the increasing particle inertia firstly; when the particle＇s Stokes number St is less than 1.0, it reaches the minimal value when St is around 1.0, then it increases if St increases further. However, the scalar dissipation rate along the particle trajectory shows completely contrasting behavior in comparison with the scalar variance. The mechanical-to-thermal time scale ratios averaged along particle, （r）p, are approximately two times smaller than that computed in the Eulerian frame r, and stay at nearly 1.77 with a weak dependence on particle inertia. In addition, the correlations between scalar dissipation and flow structure characteristics along particle trajectories, such as strain and vorticity, are also computed, and they reach their maximum and minimum, 0.31 and 0.25, respectively, when St is around 1.0.     

H吸附诱发ZnO(10-10)表面的金属化

采用基于广义梯度近似的投影缀加平面波赝势和周期性边界条件的超晶胞模型, 用第一原理方法计算并分析了H在ZnO(10-10)面上的吸附能、态密度和能带结构. 结果表明: 1) H单原子吸附时, H在ZnO(10-10)面上的吸附(用ZnO(10-10)-H表示)只形成OH原子团, 没有ZnH出现; 面上剩余的Zn悬挂键导致此面显示出很强的金属性. DOS和能带分析显示导带(CB)底的Zn 4s态得到电子, 向下移动导致价带导带在禁带中出现交叠, 呈现明显金属化. 2) 双H在ZnO(10-10)面上的吸附用ZnO(10-10)-2H表示, 在ZnO(10-10)-2H吸附面上, 2H分别吸附在O、Zn上, 饱和了面上的两个悬挂键, DOS和能带分析显示ZnO(10-10)-2H吸附面与清洁ZnO(10-10)面大致相同, 均为绝缘面.