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In honor of Professor Shiao-Hung Chiang 纪念蒋绍鸿教授
Pub Date : 2008-03-01 DOI: 10.1016/j.jcice.2008.02.001
Liang-Shih Fan (Guest Editor)
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引用次数: 0
Modeling and optimization of a large-scale slurry bubble column reactor for producing 10,000 bbl/day of Fischer–Tropsch liquid hydrocarbons 1万桶/天费托液态烃大型浆态泡塔反应器的建模与优化
Pub Date : 2008-03-01 DOI: 10.1016/j.jcice.2007.11.003
Laurent Sehabiague , Romain Lemoine , Arsam Behkish , Yannick J. Heintz , Mariela Sanoja , Rachid Oukaci , Badie I. Morsi

A user-friendly simulator based on a comprehensive computer model for slurry bubble column reactors (SBCRs) for Fischer–Tropsch (F–T) synthesis, taking into account the hydrodynamics, kinetics, heat transfer, and mass transfer was developed. The hydrodynamic and mass transfer data obtained in our laboratories under typical F–T conditions along with those available in the literature were correlated using Back Propagation Neural Network and empirical correlations with high confidence levels. The data used covered wide ranges of reactor geometry, gas distributor, and operating conditions. All reactor partial differential equations, equation parameters and boundary conditions were simultaneously solved numerically.

The simulator was systematically used to predict the effects of reactor geometry (inside diameter and height) as well as superficial gas velocity and catalyst concentration on the performance of a large-scale SBCR provided with cooling pipes and operating under F–T conditions with cobalt-supported catalyst and H2/CO = 2. The performance of the SBCR was expressed in terms of CO conversion, liquid hydrocarbon yield, catalyst productivity, and space time yield. The simulator was also used to optimize the reactor geometry and operating conditions in order to produce 10,000 barrels/day (bbl/day) of liquid hydrocarbons.

基于综合计算机模型,开发了一个考虑流体力学、动力学、传热和传质的费托合成浆体泡塔反应器(SBCRs)用户友好模拟器。我们的实验室在典型的F-T条件下获得的流体力学和传质数据与文献中可用的数据使用反向传播神经网络和高置信度的经验相关性进行关联。使用的数据涵盖了反应器几何形状、气体分布器和操作条件的广泛范围。同时对反应器的偏微分方程、方程参数和边界条件进行了数值求解。该模拟系统地预测了反应器几何形状(内径和高度)、表面气速和催化剂浓度对配备冷却管的大型SBCR性能的影响,并在钴负载催化剂和H2/CO = 2的F-T条件下运行。SBCR的性能以CO转化率、液态烃产率、催化剂生产率和时空产率表示。该模拟器还用于优化反应器的几何形状和操作条件,以生产1万桶/天的液态烃。
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引用次数: 58
Cake filter scale-up, simulation and data acquisition—A new approach 饼式滤波器放大、仿真和数据采集——一种新方法
Pub Date : 2008-03-01 DOI: 10.1016/j.jcice.2007.12.003
E.S. Tarleton

This paper details a unique, automated filtration apparatus and the newly developed Filter Design Software (FDS) which facilitates equipment selection, scale-up and simulation through an integrated experimental and theoretical approach.

By way of example, experimental data were obtained with the apparatus over constant, variable and stepped pressure regimes. Inherent suspension properties were maintained throughout by utilising a computer-controlled pressure regulator and cake formation was monitored by micro-pressure transducers capable of providing up to seven independent measures of liquid pressure within 3.3 mm of the filter medium surface. For constant pressure and moderately compressible talc cakes the liquid pressure increased with cake height in a non-linear manner and generally exhibited a concave profile. When a pressure step was applied following a period of constant pressure filtration, the cake structure typically required up to 30 s to reach a new pseudo-equilibrium state. During this time the reciprocal filtrate flow rate vs. filtrate volume plot was non-linear and the liquid pressures in the cake increased rapidly before remaining nearly constant. When the cake was thicker or the pressure step larger, the liquid pressure measured closer to the filter medium remained either constant following the increase in pressure or increased slowly over the 360 s duration of the pressure step which indicates potential difficulties with the stepped pressure test.

The filtration data were analysed using FDS to obtain scale-up coefficients and the impact of using incorrect scale-up coefficients on likely filter performance at the process scale is shown. The simulation capabilities of FDS are also highlighted through a case study in which, by way of example, the influence of crystal formation and other operating parameters on the filter cycle for a pharmaceutical product are shown. Simulations quantify how crystal form can detrimentally influence all phases of a cycle and lead to, for instance, slower filtration and wetter filter cakes.

本文详细介绍了一种独特的自动化过滤装置和新开发的过滤器设计软件(FDS),该软件通过综合实验和理论方法促进设备选择,放大和模拟。通过举例,用该装置在恒定、可变和阶梯压力下获得了实验数据。通过使用计算机控制的压力调节器来保持固有的悬浮特性,并通过微压力传感器监测滤饼的形成,该传感器能够在距离过滤介质表面3.3毫米的范围内提供多达7个独立的液体压力测量。对于定压和中等可压缩性滑石饼,液体压力随饼高呈非线性增长,一般呈凹形。当在一段时间的恒压过滤后施加压力时,滤饼结构通常需要长达30秒才能达到新的伪平衡状态。在此期间,滤液流量与滤液体积的倒数曲线是非线性的,滤饼中的液体压力迅速增加,然后几乎保持不变。当滤饼较厚或压力阶跃较大时,测得的靠近过滤介质的液体压力要么随压力增加而保持不变,要么在压力阶跃的360 s持续时间内缓慢增加,这表明分步压力试验可能存在困难。使用FDS对过滤数据进行分析以获得放大系数,并显示了在过程规模上使用不正确的放大系数对可能的过滤性能的影响。通过一个案例研究,FDS的模拟能力也得到了强调,在该案例研究中,通过举例,显示了晶体形成和其他操作参数对制药产品过滤周期的影响。模拟量化了晶体形态如何对循环的所有阶段产生不利影响,并导致过滤速度变慢和滤饼变湿。
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引用次数: 6
Simulation of saturated fluid flow in packed particle beds—The lattice-Boltzmann method for the calculation of permeability from XMT images 填充颗粒床中饱和流体流动的模拟——从XMT图像计算渗透率的格子-玻尔兹曼方法
Pub Date : 2008-03-01 DOI: 10.1016/j.jcice.2007.12.002
A.R. Videla, C.L. Lin, J.D. Miller

Cone beam X-ray microtomography (XMT) instrumentation is a state-of-the-art non-invasive technology now used for several years to describe important characteristics of packed particle beds in three-dimensional (3D) detail. Many process engineering operations involve the transport of fluid in porous media. It is well known that the flow in porous media depends on the geometric properties of the pore network structure and in this regard X-ray microtomographic imaging captures the porous network structure of opaque packed particle beds which is later used for fluid flow analysis. The coupling of XMT 3D imaging with a novel fluid flow simulation method, known as the lattice-Boltzmann model (LBM), allows for direct local flow determination and micro-permeability calculations for complex porous structures. In this paper the methodology is briefly explained, implementations for some practical problems are addressed, the application of the technique from results for packed particle beds of interest are presented, and a comparison with experimental data is made.

锥形束x射线微断层扫描(XMT)仪器是一种最先进的非侵入性技术,近年来一直用于描述三维(3D)细节的填充颗粒床的重要特征。许多工艺工程操作涉及流体在多孔介质中的输送。众所周知,多孔介质中的流动取决于孔隙网络结构的几何性质,在这方面,x射线显微层析成像捕获了不透明堆积颗粒床的多孔网络结构,这些结构后来用于流体流动分析。XMT 3D成像与一种新的流体流动模拟方法(称为晶格-玻尔兹曼模型(LBM))的耦合,可以直接确定复杂多孔结构的局部流动和微渗透率计算。本文简要说明了该方法,讨论了一些实际问题的实现方法,从感兴趣的堆积颗粒床的结果中介绍了该技术的应用,并与实验数据进行了比较。
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引用次数: 32
Novel sorbents for mercury emissions control from coal-fired power plants 控制燃煤电厂汞排放的新型吸附剂
Pub Date : 2008-03-01 DOI: 10.1016/j.jcice.2007.12.006
Sang-Sup Lee, Joo-Youp Lee, Tim C. Keener

The authors have successfully developed novel efficient and cost-effective sorbents for mercury removal from coal combustion flue gases. These sorbents were evaluated in a fixed-bed system with a typical PRB subbituminous/lignite simulated flue gas, and in an entrained-flow system with air simulating in-flight mercury capture by sorbent injection in the ductwork of coal-fired utility plants. In both systems, one of the novel sorbents showed promising results for Hg0 removal. In particular, this sorbent demonstrated slightly higher efficiencies in Hg0 removal than Darco Hg-LH (commercially available brominated activated carbon) at the similar injection rates in the entrained-flow system. The other novel sorbent showed excellent Hg0 oxidation capability, and may enable coal-fired power plants equipped with wet scrubbers to simultaneously control their mercury and sulfur oxides emissions. In addition, fixed-bed results for this sorbent showed that co-injection of a very small amount (∼10%) of raw activated carbon could eliminate almost all of the mercury generated by reactions of Hg0 with the sorbent.

作者已经成功地开发了新型高效和具有成本效益的吸附剂,用于从燃煤烟气中去除汞。这些吸附剂在一个固定床系统中进行了评估,该系统具有典型的PRB亚烟煤/褐煤模拟烟气,并在一个带有空气的夹带流系统中通过在燃煤公用事业工厂的管道系统中注入吸附剂来模拟飞行中的汞捕获。在这两种系统中,一种新型吸附剂在去除Hg0方面表现出良好的效果。特别是,在携流系统中,在相同的注入速率下,该吸附剂的Hg0去除效率略高于Darco Hg-LH(市售溴化活性炭)。另一种新型吸附剂表现出优异的氧化Hg0能力,可能使配备湿式洗涤器的燃煤电厂同时控制其汞和硫氧化物的排放。此外,该吸附剂的固定床结果表明,共注入极少量(~ 10%)的生活性炭可以消除几乎所有由Hg0与吸附剂反应产生的汞。
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引用次数: 34
Measurement of low yield-stress materials 低屈服应力材料的测量
Pub Date : 2008-03-01 DOI: 10.1016/j.jcice.2007.11.001
Wallace Woon-Fong Leung

A special method has been devised to measure yield stress of biosolids material or cake. A material with yield stress is placed in a container initially resting on its base. By slowly rotating the container 90° incrementally under “quasi-equilibrium”, the profile of the material is reformed in which the height is deeper on one end and shallower on the opposite end. To measure material with low yield stress, an immiscible lighter liquid is introduced with the material fully immersed in the pool of the lighter liquid and the above procedure is repeated. Also the dimension of the side of the container should be much greater that of the base. Despite the yield stress of the material is small the interface profile between the lighter liquid and the material can be established under reduced weight due to buoyancy force of the lighter liquid. The measured material profile is compared with the theoretical prediction based on a model assuming the material establishes a hydrostatic equilibrium in its final position with the container resting on its side. The effective density used in the test is the density difference between the lighter liquid and the material, which can be made small, catered for measuring material with very low yield stress.

The new method was used to measure xanthan gum with low yield stress with magnitude less than 1 Pa. The cross sectional shape of the container affects the measurement and the subsequent interpretation. Both rectangular and cylindrical geometries have been investigated and both give comparable yield stress for the xanthan gum being tested. The proposed method is attractive for providing reasonable and accurate measurement despite its simplicity.

设计了一种特殊的方法来测量生物固体材料或饼的屈服应力。一种具有屈服应力的材料被放置在一个容器中,最初是在它的基座上休息的。在“准平衡”状态下,缓慢地将容器增量旋转90°,改变了材料的轮廓,其中一端高度较深,另一端高度较浅。为了测量具有低屈服应力的材料,引入一种不混溶的打火机液体,材料完全浸入打火机液体池中,重复上述过程。另外,容器侧面的尺寸应该比底座的尺寸大得多。尽管材料屈服应力较小,但由于轻液的浮力作用,轻液与材料之间的界面轮廓可以在减轻重量的情况下建立。将实测的材料轮廓与基于假设材料在其最终位置与容器侧靠建立流体静力平衡的模型的理论预测进行比较。测试中使用的有效密度是较轻的液体与材料之间的密度差,可以使其很小,适合于测量屈服应力非常低的材料。该方法用于测量小于1 Pa的低屈服应力黄原胶。容器的横截面形状影响测量和随后的解释。矩形和圆柱形的几何形状都被研究过,它们都给被测试的黄原胶提供了相当的屈服应力。该方法虽然简单,但具有提供合理、准确测量的优点。
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引用次数: 1
Effects of system parameters on the performance of CO2-selective WGS membrane reactor for fuel cells 系统参数对燃料电池WGS膜反应器性能的影响
Pub Date : 2008-03-01 DOI: 10.1016/j.jcice.2007.12.004
Jin Huang , W.S. Winston Ho

Performing water gas shift (WGS) reaction efficiently is critical to hydrogen purification for fuel cells. In our earlier work, we proposed a CO2-selective WGS membrane reactor, developed a one-dimensional non-isothermal model to simulate the simultaneous reaction and transport process and verified the model experimentally under an isothermal condition. Further modeling investigations were made on the effects of several important system parameters, including inlet feed temperature, inlet sweep temperature, feed-side pressure, feed inlet CO concentration, and catalyst activity, on membrane reactor performance. The synthesis gases from both autothermal reforming and steam reforming were used as the feed gas. As the inlet feed temperature increased, the required membrane area reduced because of the higher WGS reaction rate. Increasing the inlet sweep temperature decreased the required membrane area more significantly, even though the required membrane area increased slightly when the inlet sweep temperature exceeded about 160 °C. Higher feed-side pressure decreased the required membrane area as a result of the higher permeation driving force and reaction rate. A potentially more active catalyst could make the membrane reactor more compact because of the enhanced reaction rate. The modeling results have shown that a CO concentration of less than 10 ppm is achievable from syngases containing up to 10% CO.

高效地进行水气转换反应是燃料电池氢净化的关键。在前期工作中,我们提出了一种co2选择性WGS膜反应器,建立了一维非等温模型来模拟同时反应和输运过程,并在等温条件下对模型进行了实验验证。进一步的建模研究了几个重要的系统参数对膜反应器性能的影响,包括进料温度、进料扫描温度、进料侧压力、进料CO浓度和催化剂活性。采用自热重整和蒸汽重整的合成气作为原料气。随着进料温度的升高,WGS反应速率提高,所需膜面积减小。提高进口扫描温度可以更显著地降低所需的膜面积,尽管当进口扫描温度超过约160℃时所需的膜面积略有增加。较高的进料侧压力降低了所需的膜面积,这是由于较高的渗透驱动力和反应速率造成的。一个潜在的更活跃的催化剂可以使膜反应器更紧凑,因为提高反应速率。模拟结果表明,从含有高达10% CO的合成气中可以获得低于10ppm的CO浓度。
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引用次数: 21
Computer program for filter media design optimization 过滤介质设计优化的计算机程序
Pub Date : 2008-03-01 DOI: 10.1016/j.jcice.2007.11.002
Sailaja Dharmanolla, George G. Chase

This paper presents a computational approach for designing, mixed fiber filter media for depth filtration. The goal is to find an optimum solution, given the range, for a set of design parameters: thickness of the media, diameter of microfiber, and diameter of nanofiber, surface area ratio of nanofiber to microfiber and mass of microfiber. The objective of this work is to develop a software program that can be used as an aid to accelerate filter design and reduce the number of laboratory experiments.

This program applies a Genetic Algorithm to search for an optimum filter media design based on quality factor which quantifies the filter performance. A user friendly computer program is developed that provides inputs, outputs and controls to design a filter media. The program provides a starting point for constructing filter media for testing and design for particular applications.

本文提出了一种设计用于深度过滤的混合纤维滤料的计算方法。目标是在给定范围内,找到一组设计参数的最佳解决方案:介质厚度,超细纤维直径,纳米纤维直径,纳米纤维与超细纤维的表面积比和超细纤维的质量。这项工作的目的是开发一个软件程序,可以用作辅助加速滤波器设计和减少实验室实验的数量。该程序应用遗传算法,以质量因子为基础,寻找最优的过滤介质设计,从而量化过滤性能。开发了一个用户友好的计算机程序,提供输入、输出和控制来设计过滤介质。该程序为构建用于特定应用的测试和设计的过滤介质提供了起点。
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引用次数: 10
Kinetics of allylation of phenol using quaternary ammonium membranes in a membrane reactor 膜反应器中季铵膜对苯酚烯丙基化反应动力学研究
Pub Date : 2008-01-01 DOI: 10.1016/j.jcice.2007.10.002
Ho-Shing Wu, Yu-Kai Wu

Anion exchange membranes were prepared in the laboratory by polymerizing chloromethylstyrene with the crosslinking reagent divinylbenzene, coated on polypropylene nonwoven fabric using the paste method, and then immobilized with trimethyl and tributyl amine in a quaternarization process. The properties of these membranes were characterized in terms of ion-exchange capacity and SEM image. The kinetics of allylation of phenol was also investigated in an organic and alkaline aqueous solution in a vertical membrane reactor. The operating conditions, such as reaction temperature, kind of membrane (two laboratory- and one commercially prepared), and concentration ratio of reactants were established to achieve the optimum condition.

用交联剂二乙烯基苯对氯甲基苯乙烯进行聚合制备阴离子交换膜,采用粘贴法涂覆在聚丙烯非织造布上,再用三甲基和三丁基胺进行季铵化固定。通过离子交换容量和扫描电镜图像对膜的性能进行了表征。在垂直膜反应器中研究了苯酚在有机和碱性水溶液中的烯丙基化反应动力学。通过对反应温度、膜种类(两个实验室制膜和一个工业制膜)、反应物浓度比等操作条件的研究,确定了最佳工艺条件。
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引用次数: 8
Solubility of ethylene in 2,2,4-trimethylpentane and 1-octene mixture 乙烯在2,2,4-三甲基戊烷和1-辛烯混合物中的溶解度
Pub Date : 2008-01-01 DOI: 10.1016/j.jcice.2007.09.004
Liang-Sun Lee , Horng-Yi Liu , Shiey-Shiun Horng

With a static type equilibrium cell and the pressure decaying method, the solubility of ethylene in a mixture of 2,2,4-trimethylpentane and 1-octene was measured in the temperature range of 323.15–423.15 K, pressure range of 5–25 bar, and 1-octene concentration from 0 to 85 wt%. The experimental results show that the solubility of ethylene in a 2,2,4-trimethylpentane and 1-octane mixture increases with system pressure but decreases with system temperature.

The experimental solubility data were also expressed in the vapor–liquid equilibrium relationship and correlated by the bubble pressure calculation using the Peng–Robinson equation of state (PR EOS) incorporated with the van der Waals one-fluid and the Zhong–Masuoka mixing rules. Among the deviations between the experimental and correlated results, the largest value of average absolute relative deviation is 1.73% for pressure at 423.15 K and that of average absolute deviation is 0.0024 mol fraction for vapor composition at 373.15 K by the Zhong–Masuoka mixing rule.

采用静态平衡池和压力衰减法,在温度为323.15 ~ 423.15 K,压力为5 ~ 25 bar, 1-辛烯浓度为0 ~ 85 wt%的条件下,测定了乙烯在2,2,4-三甲基戊烷和1-辛烯混合物中的溶解度。实验结果表明,乙烯在2,2,4-三甲基戊烷- 1-辛烷混合物中的溶解度随体系压力的增大而增大,随体系温度的升高而减小。实验溶解度数据也用汽液平衡关系表示,并通过结合范德华一流体和Zhong-Masuoka混合规则的Peng-Robinson状态方程(PR EOS)计算气泡压力进行关联。在实验结果与相关结果的偏差中,根据Zhong-Masuoka混合规则,423.15 K时压力的平均绝对相对偏差最大,为1.73%;373.15 K时蒸汽成分的平均绝对偏差最大,为0.0024 mol分数。
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引用次数: 2
期刊
Journal of The Chinese Institute of Chemical Engineers
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