An improved semi-empirical friction model for gas-liquid two-phase flow in horizontal and near horizontal pipes

Pressure drop and liquid hold-up are two very important fluid flow parameters in design and control of multiphase flow pipelines. Friction factors play an important role in the accurate calculation of pressure drop. Various empirical and semi-empirical closure relations exist in the literature to calculate the liquid-wall, gas-wall and interfacial friction in two-phase pipe flow.However most of them are empirical correlations found under special experimental conditions. In this paper by modification of a friction model available in the literature, an improved semiempirical model is proposed. The proposed model is incorporated in the two-fluid correlations under equilibrium conditions and solved. Pressure gradient and velocity profiles are validated against experimental data. Using the improved model, the pressure gradient deviation from experiments diminishes by about 3%; the no-slip condition at the interface is satisfied and the velocity profile is predicted in better agreement with the experimental data.     

纤维素热裂解反应机理及中间产物生成过程模拟研究

基于改进的B-S机理模型，通过求解物料内部和气相空间两段反应过程，对纤维素热裂解过程中一些化合物(活性纤维素、左旋葡聚糖(LG)、乙醇醛、丙酮醇等组分)的生成和演变情况进行了模拟。结果发现,自由水的脱除过程使物料前期升温速率发生了下降，并未影响热解期间温度分布以及反应过程。热裂解过程中，由于一次反应的强烈吸热，物料在长时间内局限于中温范围，其内部各组分质量浓度分布的区别主要体现出一次反应竞争能力的强弱。物料厚度的增加使热裂解时间延长，并加剧物料内部的二次分解。左旋葡聚糖和其竞争产物乙醇醛的生成出现一个大量生成、快速逃逸的过程，相比于左旋葡聚糖，乙醇醛质量浓度的积累具有更快的速度，体现出较高温度下的竞争优势。对于小尺寸反应物，挥发分二次反应主要发生在气相空间，随着气相停留时间的增加，其二次分解的程度提高，该效果随辐射源温度的提高而加剧。相比于LG产率随反应时间的快速下降趋势，高温下生物油产率的降低略显缓和，其变化主要是组分分布的改变，即从大分子结构降解为小分子结构。     

液固流化床内床层动态特性的CFD模拟

在对液固流化床内流动特性进行理论分析的基础上，采用多相流CFD方法模拟了二维矩形流化床内水和玻璃球体系的流体动力学特性。实验结果表明，流体速度突变后，液固流化床从一个平衡状态向另一个平衡状态过渡。当液体速度减小时，床层表面及分隔界面的变化与理论模型预测一致；由于重力不稳定性的影响，当液体速度增大时，床层表面稳定上升但与时间不呈线性关系，且分隔界面难以分辨。进而膨胀后停留时间的长短对收缩过程的影响也可以忽略。尽管床层收缩时间明显小于实际膨胀时间，但是与预报的理想膨胀时间比较接近。模拟结果与前人的实验研究和理论分析相吻合，表明多相流CFD模拟可以很好地预测液固流化床的床层动态行为。     

金纳米通道的研究及其在分析化学中的应用

微纳尺度的研究是微纳米技术的重要组成部分。本文重点对金纳米通道的制备及其在分离分析、传感器等方面的研究和应用作了评述。展望了金纳米通道的应用前景。     

Molecular simulation of water behaviors on crystal faces of hydroxyapatite

The water behavior on (001) and (100) crystal faces of hydroxyapatite (HAP) were studied using molecular dynamics (MD) simulations. The study showed that the water molecules between the HAP faces were under conditions of strong electrical field and high pressure, and hence formed 2–3 well-organized water layers on the crystal surfaces. These structured water layers had ice-like features. Compared with the crystallographic [100] direction of HAP, the polarity along the [001] direction was stronger, which resulted in more structured water layers on the surface. The interaction of water molecules with the calcium and phosphate sites at the HAP-water interface was also studied. The results indicated the multiple pathways of water adsorption onto the HAP surfaces. This study revealed the formation and the detailed structure of water layers on HAP surfaces and suggested that the interfacial water played an important role in stabilizing the HAP particles in aqueous solutions. Translated from Chinese Journal of Inorganic Chemistry, 2006, 22(8): 1392–1400 (in Chinese)     

Solvothermal Synthesis and Crystal Structure of a Layered Thioantimonate(Ⅲ) [C_4H_9NH_3]_2Sb_4S_7

An inorganic-organic hybrid thioantimonate(Ⅲ) [CH3(CH2)3NH3]2Sb4S7 1 with layered structure was synthesized by solvothermal method. 1 crystallizes in the triclinic system,space group P1 with a=7.0124(11),b=11.919(2),c=14.879(3),α=108.791(3),β=102.441(3),γ=92.846(2)o,V=1140.1(3)3,Mr=859.71,Z=2,Dc=2.504 g/cm3,μ =5.324 mm-1,F(000)=804,S=1.013,the final R=0.0297 and wR=0.0618 for 3534 observed reflections with I > 2σ(I). 1 consists of [C4H9NH3]+ cations and two-dimensional [Sb4S7]n2n- anion which is composed of three SbS3 trigonal pyramids and one SbS4 unit joined by sharing common corners. The anionic layers are stacked perpendicularly to the c axis of the unit cell forming two-dimensional channels between the layers. The [C4H9NH3]+ cations interdigitate in a bilayer and reside in the 2D channels leading to a sandwich-like arrangement of the anion and cations.     

颗粒流体两相流模型研究进展

本文介绍了颗粒流体两相流动的特征及其模拟方法, 重点论述了拟流体模型的研究现状及发展, 并对两相流动模拟中的各种方法进行了展望。     

Some theoretical aspects on morphology development in seeded composite latexes. I. Batch conditions below monomer saturation

In seeded emulsion polymerization, during the second stage, new interfaces appear and the surface area changes. A thermodynamic equilibrium approach is presented which predicts particle morphology of a whole range of non-spherical particles upon polymer conversion. Simulation takes into account swelling ratio, molar volumes and interfacial tension. As the particle geometry is complex, a new mathematical procedure is detailed.The computed data are useful to discuss either the stability or the instability of the particles morphology. These results must be compared with actual experimental structures.Abreviations and symbols G Gibbs' free energy - reduced Gibbs' free energy - _i interfacial tension - ₁₂ interfacial tension between polymer 1 and polymer 2 - _1w interfacial tension between polymer 1 and water - _2w interfacial tension between polymer 2 and water - r ₁ polymer 1 swollen by monomer 2 sphere radius - r ₂ polymer 2 swollen by monomer 2 sphere radius - r _i interfacial radius - h ₁ sphere 1 distance to minimal section - h ₂ sphere 2 distance to minimal section - h _i interfacial sphere distance to minimal section - sign ofh _i, positive when the interface sphere is on the side of the sphere 2, negative when the interface sphere is on the side of the sphere 1 - A ₁₂ surface between polymer 1 and polymer 2 - A _1w surface between polymer 1 and water - A _1w ⁰ surface between polymer 1 and water before polymerization - A _2w surface between polymer 2 and water - v ₁ volume of the polymer 1 swollen by monomer 2 - v _i volume of the polymer 1 swollen by monomer 2 before polymerization - v ₂ volume of the polymer 2 swollen by monomer 2 - V _p1 polymer 1 molar volume - V _p2 polymer 2 molar volume - V _m2 monomer 2 molar volume - n _p2 polymer 2 number of mole - n _p1 polymer 1 number of moles - n _m21 monomer 2 number of mole in the swollen polymer 1 - n _m22 monomer 2 number of mole in the swollen polymer 2 - n _m2 monomer 2 total number of mole - n _m2 monomer 2 number of mole before polymerization - TGn ₁ polymer 1 swelling rate - TGn ₂ polymer 2 swelling rate - TGn _i maximum number of mole of monomer 2 in polymeri by mole of polymeri - x polymer 2 conversion rate - K, p, q mathematical variables - D, r, a mathematical variables     

4-苯基-1,3-硒唑衍生物的合成及其对蛋白酪氨酸磷酸酯酶-1B抑制活性

蛋白酪氨酸磷酸酯酶-1B(PTP1B)是抗糖尿病治疗的重要靶点,因此创制活性优良的PTP1B抑制剂具有重要意义。 本文设计并合成了11个含1,3-硒唑和1,2,4-三唑活性组块新型结构目标分子(ZLXZ1-ZLXZ11),并利用傅里叶变换红外光谱仪(FTIR)、核磁共振波谱仪(NMR)和高分辨质谱(HRMS)等对其进行了结构表征。 首先选择ZLXZ1和ZLXZ11在MOE 2015.10程序上,与PTP1B进行分子对接模拟,结果表明,在ZLXZ1分子中硒唑环上的硒原子与PTP1B中副催化位点Tyr46、Ala217、Lys120和Asp 48分别形成了π-H作用和氢键作用。 在ZLXZ11分子中硒唑上的硒原子与PTP1B中Asp181、Arg221和Asp48形成了氢键作用。 在分子对接模拟的基础上,测试了11个目标分子的抑制活性,结果表明,所有目标分子的抑制率均在87.02%以上,其中3个目标分子PTP1B抑制活性高于阳性参照物齐墩果酸,抑制活性优良,有望成为潜在的PTP1B抑制剂。     

正溴丁烷合成虚拟仿真系统的设计与辅助实验教学研究*

介绍了正溴丁烷合成虚拟仿真系统的设计与功能,并结合具体的教学实践和研究结果的对比分析,提出了虚实结合的混合式教学模式,这种教学模式能有效解决传统实验教学过程中实验预习效果差、过程性评价难的教学痛点。