四喷嘴对置式气化炉停留时间分布的随机模型

运用连续时间马尔可夫链及矩阵相关理论，建立了停留时间分布随机模型。根据对四喷嘴对置式气化炉流场的测试，将气化炉划分为若干区域，并且对各个区域体积进行了估算，组成马尔可夫链状态转移图。模拟计算表明，当射流回流区和撞击流回流区回流比为1，管流区为平推流模式,其他区域按全混流模式处理时，模拟值与实验值较接近。用优化的模型计算了不同条件的冷模气化炉的停留时间分布，结果表明，随着气体流量的增大，平均停留时间减小，无因次方差增大；随着炉体高度的增加，平均停留时间增大，无因次方差减小。对工业气化炉停留时间分布进行了预测，炉内流型总体上趋近于全混流，有利于炉内的气化反应。     

Ga2O3／HZSM—5催化剂的XRD,XPS和TPR研究

利用ＸＲＤ、ＸＰＳ、ＴＰＲ等技术对Ｇａ２Ｏ３／ＨＺＳＭ－５催化剂进行表征，结果表明，催化剂中镓组分以聚集态和分散态的形式存在，其中聚集态中α－Ｇａ２Ｏ３在一定条件下可转化为β－Ｇａ２Ｏ３；分散态又可分为游离Ｇａ２Ｏ３和与ＨＺＳＭ－５产生相互作用的镓组分，催化剂预处理条件及反应一再生过程对镓的分布及状态有较大影响。     

聚苯乙烯磺酰氯与三氯化铁复合物的合成及其对乙酸和正丁醇酯化反应的催化作用

聚苯乙烯磺酰氯树脂１与三氯化铁或三氯化铁的六水合物在二氯乙烷的回流温度下分别制得了复合树脂２和复合树脂３。这两种树脂在二氯乙烷中分别用无水ＨＣＬ处理分别得到复合树脂４和复合树脂５。用对硝基氯苯作指示剂测得复合树脂２的Ｈａｍｍｅｔｔ酸度常数为－１２．７０。这些树脂在６０℃下催化乙酸和丁醇（摩尔比为１：１３）的酯化反应中虽然树脂３没有明显的催化活性，但其余三种复合树脂的催化活性是其母体聚苯乙烯磺酰氯树脂的３～４倍，是强酸树脂催化剂Ｄ７２的４～６倍。     

灰熔聚流化床气化炉的CFD模拟研究

通过CFD模拟了灰熔聚流化床气化炉，考察了操作条件包括中心管氧气量、分布板水蒸气量以及操作压力对流化床气化炉的气相浓度分布的影响。剖析了不同操作条件对化学反应的影响，解释了其对气化炉产气组成的作用原理。     

射流携带床反应器液体停留时间分布及模拟

对射流携带床液体停留时间分布进行了研究，考察了液体流量、气体流量和气体动量对液体停留时间分布的影响。结果表明，增加液体流量使停留时间分布密度曲线变得高而窄，且平均停留时间变短；气体流量增大使得停留时间出峰略有提前，气体流量大于4L/min时，继续增大气体流量对液体停留时间分布影响较小；当液体流量小于60L/h时，气体动量对液体停留时间的影响较明显，主要表现气体动量越大液体平均停留时间越长。基于实验结果分析及实验中观测的现象，将射流携带床内液体流动结构分为中心区和壁面区进行研究，建立了描述射流携带床内液体停留时间分布的数学模型，模型模拟结果和实验数据吻合良好。     

稠杂环化合物的研究（Ⅸ）──3－芳基－6－（2，4－二氯苯氧乙酰胺基）均三唑并［3，4－b］－1，3，4－噻二唑的合成

３－芳基－４－氨基－１，２，４－均三唑－５－硫酮和２．４－二氯苯氧乙酰异硫氰酸酯在丙酮中于６０℃回流，制得１０个新的均三唑并［３，４－ｂ］－１，３，４－噻二唑（３ａ－ｊ）化合物，用元素分析、ＩＲ、１ＨＮＭＲ和ＭＳ确证了结构，并讨论了反应机制。     

（四甲基二硅撑）二（3－三甲硅基环戊二烯基）四羰基二铁及其相关化合物的合成及结构

１，２－二（三甲硅基环戊二烯基）四甲基二硅烷与Ｆｅ（ＣＯ）_５在二甲苯中于１０５～１１０℃反应除分离到少量标题化合物（Ｍｅ_２ＳｉＳｉＭｅ_２）［η－（３－Ｍｅ_３ＳｉＣ_５Ｈ_３Ｆｅ（ＣＯ）］_２（μ－ＣＯ）_２（５）外，主要是生成了脱Ｍｅ_３Ｓｉ基的产物（Ｍｅ_２ＳｉＳｉＭｅ_２）［η－Ｃ_５Ｈ_４Ｆｅ（ＣＯ）］_２（μ－ＣＯ）_２（１）及１的热重排异构体［Ｍｅ_２ＳｉＣ５Ｈ４－Ｆｅ（ＣＯ）_２］_２（２）．将５的二甲苯溶液加热回流１８ｈ，则转化为其异构体［Ｍｅ_２Ｓｉ（Ｍｅ_３ＳｉＣ_５Ｈ_３）Ｆｅ（ＣＯ）_２］_２（６）．脱硅基发生在由相应反应物制备５的过程中。且脱硅基是与反应物中（Ｍｅ_２ＳｉＳｉＭｅ_２）桥的存在有关．５的晶体结构经Ｘ射线衍射测定属单斜晶系，Ｐ２_１／ｍ空间群，晶体学数据：ａ＝０．６７８０（１）ｎｍ，ｂ＝２．２３０３（９）ｎｍ，ｃ＝０．９９８８（１）ｎｎ，；β＝９８．９６（１）°，Ｖ＝１．４９６０ｎｍ~３．Ｚ＝２，Ｄ_ｃ＝１．３６ｇ／ｃｍ~３．     

铝壶煮沸的饮用水中铝的形态分析

用过滤、离子交换和光解氧化分离自来水和经铝壶煮沸的饮用水中铝的形态,以石墨炉原子吸收光谱法测定铝的浓度,采用化学平衡模式计算铝的形态分布。实验结果表明：经铝壶煮沸１ｍｉｎ的饮用水中颗凿态铝量比自来水降低了３．３倍,可交换态、不可交换有机态、不可交换无机态铝量分别２增加了１．４、０．５和１．２８倍,可交换态和不可交换无机态是铝的主要存在形态。随着煮沸时间的增加,可交换态、不可交换有机态、不可交换无机     

以水热法于ZSM-5分子筛中分散MoO3的研究

热扩散法的ＭｏＯ３最高分散量为每克ＺＳＭ－５上０．０８克ＭｏＯ３．而本文采用水热分散法可使ＭｏＯ３在ＺＳＭ－５分子筛中的分散量大大提高．当分散量高达每克ＺＳＭ－５上０．３克ＭｏＯ３时，通过ＸＲＤ，ＩＲ，ＤＴＡ谱测试和吸附测定，都证实了ＭｏＯ３在ＺＳＭ－５中仍然是以非晶相分散态存在．此时，样品有吸附自重６％的水的吸附能力和相应的孔道．     

聚苯胺与聚苯甲酰胺的共混研究

在制得可溶性聚苯胺基础上，研究了聚苯胺与聚苯甲酰胺在二甲基乙酰胺（含３．５％ＬｉＣｌ）中的共混溶液行为并绘出其三元相图。研制了不同配比的聚苯胺／聚苯甲酰胺共混膜。测试结果表明，在聚苯胺中混入２０％ＰＢＡ后其拉伸强度可增加２～３倍且其导电率可达７．５Ｓ／ｃｍ。考察了混合比对共混薄膜的导电率和力学性能的影响．ＳＥＭ及Ｘ－衍射结果表明聚苯胺／聚对苯甲酰胺共混物存在着明显的微观相分离．     

水煤浆气化炉气化过程的三区模型

本文提出了水煤浆气化过程的三区模型，即燃烧区、二次反应区、回流化学反应区。在燃烧 区中，首先进行反应的是回流流股中的可燃组分，其次是煤中的挥发分及碳等；二次反应区主要是燃烧产物的均相或非无相反应；回流区的化学反应则与喷咀结构，射流速度密切相关。各区的反应既不受热力学限制，也不为动力学控制，反应结果完全依赖于喷咀与护体匹配形成的流场；其中回流是一个重要的工程因素，适当的回流量有利于二次反应的进行。     

两段式气流床煤气化炉内气固流动数值模拟研究

建立了两段式气流床煤气化炉内气固两相流动的三维计算流体力学（CFD）模型，将气体视为连续介质，在Euler坐标系下考察气相的运动；将颗粒视为离散体系，在Lagrange坐标系下研究颗粒的运动。利用所建CFD模型对基本设计尺寸和操作条件下的两段式气流床煤气化炉内气固两相流动进行了模拟，给出了两段式气流床煤气化炉内的气固两相流动的规律和颗粒的分布规律。在此基础上，针对不同的结构(喉口直径变化)和不同的操作条件（两段气固进料量变化）进行了一系列的模拟比较。结果表明，喉口直径的变化对于炉内气固两相流动及颗粒分布有重要影响。随着喉口直径减小，喉口附近区域的气相回流增强，颗粒运动轨线变得更加曲折，颗粒分布发生明显变化。两段气固流量的改变可以明显改变炉内气固流动，随着一段反应区的气固流量增加和二段反应区气固流量减小，一段反应区内的气相回流更加显著， 二段反应区气相回流减弱，颗粒螺旋上升运动增强，反应器边壁处颗粒浓度增大，颗粒沉积现象减弱。     

Simulation of Polymer Reactors Using the Compartment Modeling Approach

A compartment modeling approach based on computational fluid dynamics (CFD) simulations is applied to a simplified static mixer geometry. Compartments are derived from velocity fields obtained from cold CFD simulations. This methodology is based on the definition of periodic flow zones (PFZ) derived from the recurrent flow profile within the static mixer. In general, PFZ can be characterized by two different compartments: flow zones with hydrodynamic behavior of a tubular reactor and dead zones exhibiting a more continuous stirred tank reactor‐like characteristic. In CFD studies the influence of changing fluid properties, for example viscosity, on flow profile due to polymerization progress is considered. In the deterministic compartment model, the continuous flow profile within the static mixer is transformed to basic reactor models interconnected via an exchange stream. To reduce model complexity and the number of model parameters, constant volumes of compartments are assumed. Changes in hydrodynamics are considered by a variable exchange flow rate as a function of Re manipulating residence time in compartments. Simulation studies show the influence of decreasing exchange flow rates with polymerization progress, as Re decreases, resulting in a greater increase of viscosity in dead zones. The reactor performance is qualitatively represented by the simulation results.     

Influence of temperature on performance of an anaerobic sequencing biofilm batch reactor with circulation applied to treatment of low-strength wastewater

The effect of temperature on the performance of an anaerobic sequencing biofilm batch reactor (ASBBR) with liquid-phase recirculation was assessed. Assays were performed using a recirculation velocity of 0.20 cm/s, 8-h cycles, and an average treated synthetic wastewater volume of 2 L/cycle with a concentration of 500 mg of Chemical Oxygen Demand (COD)/L. Operation temperatures were 15, 20, 25, 30, and 35°C. At 25, 30, and 35°C, organic matter removal efficiencies for filtered samples ranged from 81 to 83%. At lower temperatures, namely 15 and 20°C, removal efficiency decreased significantly to 61 and 65%, respectively. A first-order model could be fitted to the experimental concentration profile values. The first-order kinetic parameter value of this model varied from 0.46 to 0.81 h¹ considering the lowest and highest temperature studied. Moreover, analysis of the removal profile values allowed fitting of an Arrhenius-type equation with an activation energy of 5715 cal/mol.     

Extending potential flow modelling of flat-sheet geometries as applied in membrane-based systems

The efficiency of chemical reactors can be analysed using the residence time distribution. This research focusses on flat-sheet geometries applied in membrane-based systems. The residence time distribution depends mainly on the 2D velocity field, parallel to the membrane. The velocity average over the transversal direction is calculated using potential flow theory. A combination of real and virtual sources and sinks are used to model the internal inlets and outlets. Furthermore, a novel method is presented to calculate the residence time distribution. By ignoring diffusion and dispersion, every streamline is modelled to have a fixed residence time, which can be calculated with a simple quadrature based on a coordinate transformation. The model predicts the impact of the two-dimensional geometry on the residence time distribution, but it is demonstrated that large zones of nearly stagnant flow have only a limited impact on the residence time distribution. The new model can predict the travelling time from the inlet to each interior location, providing a better tool to analyse spatially distributed chemical reactions. The models agreed highly with pressure measurements (R² = 0.94–0.98) and they agreed well with tracer experiments for the residence time (R² = 0.73–0.99).     

The recirculation zone at the entrance of a falling liquid film: Consequences for the surfactant adsorption problem

When a surfactant solution emerges from a slot to form a falling liquid film, an adsorption process occurs which generates a gradient in surface concentration. This concentration gradient gives rise to a gradient in the surface tension which retards the development of the velocity profile. Experimental measurements of the surface velocity, theoretical analysis of the adsorption process, and visual observation of the entrance region all indicate the existence of a double-vortex recirculation zone at the head of the entrance region. The surfactant adsorption process is largely controlled by the flow field in the recirculation zone as the downstream vortex provides a mechanism of convective transport from the bulk to the surface phase.     

Microfluidic synthesis of colloidal silica

We demonstrate the design, fabrication, and operation of microfluidic chemical reactors for the synthesis of colloidal silica particles. Two reactor configurations are examined: laminar flow reactors and segmented flow reactors. We analyze particle sizes and size distributions and examine their change with varying linear flow velocity and mean residence time. Laminar flow reactors are affected by axial dispersion at high linear velocities, thus leading to wide particle size distributions under these conditions. Gas is used to create a segmented flow, consisting liquid plugs separated by inert gas bubbles. The internal recirculation created in the liquid plugs generates mixing, which eliminates the axial dispersion effects associated with laminar flow reactors and produces a narrow size distribution of silica nanoparticles.     

Axial dispersion coefficient in high-speed counter-current chromatography

Experimental measurements of axial dispersion coefficients in high-speed counter-current chromatography have been carried out in the single-phase and two-phase modes. Axial dispersion coefficients were calculated from the residence time distribution curve (or the elution profile). The experimental data obtained were used to develop a model involving Peclet number Pe, Reynolds number and the ratio of flow velocity u to linear angular velocity u_θ for predicting the axial dispersion coefficient. Furthermore, the models obtained from the single-phase and two-phase modes were compared, and a counterintuitive phenomenon was found in that the effects of the flow rate and the rotation speed on the axial dispersion coefficients are inconsistent: the axial dispersion coefficient decreases with the rotation speed and increases with the flow rate in the single-phase mode, but increases with rotation speed and decreases slightly with the flow rate in the two-phase mode.     

Transport and reaction in microscale segmented gas-liquid flow

We use micro particle image velocimetry (microPIV) and fluorescence microscopy techniques to characterize microscale segmented gas-liquid flow at low superficial velocities relevant for chemical reactions with residence times of up to several minutes. Different gas-liquid microfluidic channel networks of rectangular cross section are fabricated in poly(dimethylsiloxane) (PDMS) using soft lithography techniques. The recirculation motion in the liquid segments associated with gas-liquid flows as well as the symmetry characteristics of the recirculations are quantified for straight and meandering channel networks. Even minor surface roughness effects and the compressibility of the gas phase induce loss of symmetry and enhance mixing across the centerline in straight channels. Mixing is further accelerated in meandering channels by the periodic switching of recirculation patterns across the channel center. We demonstrate a new, piezoelectrically activated flow injection technique for determining residence time distributions (RTDs) of fluid elements in multiphase microfluidic systems. The results confirm a narrowed liquid phase RTD in segmented flows in comparison to their single-phase counterparts. The enhanced mixing and narrow RTD characteristics of segmented gas-liquid flows are applied to liquid mixing and in sol-gel synthesis of colloidal nanoparticles.