用于Texaco气化炉同轴射流计算的不同湍流模型的比较

应用商业CFD软件Fluent,分别采用Spalart-Allmaras模型、标准k-ε模型、RNG k-ε模型、Realizable k-ε模型和RSM模型对气化炉同轴射流冷态实验台进行了数值模拟,并通过不同模型计算结果与实验结果的对比,讨论了各模型受网格质量、网格类型和边界条件的影响。通过对比发现,S-A模型和标准k-ε模型受网格质量影响最小,但准确性不高;RSM模型受网格影响较大;而RNG k-ε模型和R k-ε模型在网格划分合理的情况下,能够给出合理的结果。     

混凝土碱硅酸反应膨胀预测模型的研究进展

本文综述了混凝土碱硅酸反应(alkali-silica reaction, ASR)膨胀预测模型的研究现状,ASR对混凝土结构造成的损伤修复难度高,修复成本大,应对这类耐久性问题主要以预防为主,补救为辅,而精确的预测模型可以评估混凝土结构的实时状态,有助于抑制混凝土中的ASR。本文首先概述了混凝土ASR的过程和机理,然后详细介绍了ASR膨胀预测模型的研究现状。ASR建模过程中需要考虑反应物含量、温度、湿度、胶凝材料组成和骨料尺寸等多种因素的影响。ASR模型主要包括理论模型、结构模型(宏观模型)和材料模型(细观模型),理论模型主要用来描述ASR的化学机理和预测骨料的最劣粒径,但该模型只适用于特定类型的骨料;材料模型在材料层面上解释了受ASR影响的混凝土的劣化机理,却忽略了混凝土收缩和徐变等因素的影响;结构模型通常被用来模拟和预测混凝土结构在ASR下的力学行为,但未充分考虑碱硅酸膨胀的化学过程以及离子扩散对ASR膨胀的影响。     

基于层流边界层理论的单组分液体蒸发速率的预测

对单组分液体蒸发模型的研究进展进行了总结。根据层流边界层理论和分子扩散理论,建立了层流环境下单组分液体蒸发的数学模型,并进行了风洞蒸发实验。将实验结果同新建模型的预测结果以及常用蒸发模型的预测结果进行了对比分析。结果表明,新建模型的预测结果与实验结果的偏差为33.5%,预测精度仅次于M ackay&M atsugu模型、NIOH-1模型和SUBTEC模型。在较低风速内,随着风速的增加,新建模型的预测精度逐渐增加;随着蒸发液体挥发性能的减弱,新建模型的预测精度增加。     

含夹带剂超临界体系溶解度模型的改进及验证

通过对文献中关联精度较优的Sovova模型的研究,参考MST-T&G模型,考虑超临界二元和三元体系中溶解度的关系,提出了以超临界二元和三元体系中溶解度函数为构架的M-MST-T&G模型。收集文献报道中的杂环芳烃类、脂肪酸类、染料类以及医药类共计13种固体溶质在含醇、酮、烷烃3大类10种夹带剂的超临界二氧化碳中1195组溶解度数据,对新改进的M-MST-T&G模型的计算精度进行了验证,并与MST-T&G模型的计算精度进行了对比。结果表明：M-MST-T&G模型的关联效果较好,相对偏差为9.63%,与MST-T&G模型相比相对偏差下降了32.30%。     

提升管轴向流动和重油催化裂解反应过程数值模拟

基于欧拉-欧拉双流体模型,采用重油催化裂解的11集总模型,建立了实验室小型提升管重油催化裂解流动-反应的二维模型。比较了气-固两相冷态流场和有催化反应流场,以及二维流动反应模型和0.5维模型下的轴向产品分布。结果表明,冷态流场和有催化反应时流场轴向气固相速度和颗粒浓度都存在明显差异,说明一个完备的反应器模型必须充分考虑反应与流动、传递之间的相互影响;提升管内轴向非均匀性使得二维和0.5维模型下轴向重油转化率和产品收率分布存在明显差异,对于重油转化率,柴油和汽油产率,这种差异在提升管中下部更为显著,比较提升管出口产品组成发现,二维模型结果与实验结果吻合更好。     

活性污泥沉降速率模型的研究进展

活性污泥沉降速率是二沉池模型的核心内容,以固体通量理论为基础的沉降速率模型主要包括幂函数模型、指数模型、Cho模型、双指数模型和颗粒分类沉降模型。在二沉池模拟中,指数模型和双指数模型较为实用且应用较多。指数模型的参数估计可通过模型参数与SVI关联实现,而双指数模型的参数则需将批沉降试验与最优化技术相结合才能确定。对活性污泥沉降速率模型的进一步研究工作提出展望。     

Study of Dead-End Microfiltration Flux Variety Law,Part II: Choice of Favorable Model Parameter

The applicability of model predictive accuracy and the selection of suitable model parameters for the membrane flux prediction and prediction of the filtration characteristics of dead-end filtration systems were assessed. In determining the model predictive accuracy using model parameters, the selection of suitable model parameters is of great significance. A series of experiments were conducted. The relative deviations, average deviations, and root mean square between the experimental and predicted values were calculated to evaluate predictive accuracy. The results showed that the model parameter has changed nonlinearly with operating conditions. Particularly, in the membrane flux prediction model, the time-dependent character of the model parameter can result in a considerable error. However, model prediction accuracy can be improved indisputably and the model will get higher predictive accuracy than that of other predictive models if the constant membrane fouling index in the flux prediction model is either replaced by the average membrane fouling index or it takes a composite parameter with free combination of the initial membrane fouling index, meantime, minimum and the maximum of the model parameter. These results give us a possibility to see the panorama of the variation of the model parameters in different situations and an idea to establish the foundation for building mathematical models.     

水质模型的研究与发展

水质数学模型的研究按照空间层次可以划分为一维、二维、三维模型和水系模型、模型系统。对国际上常用的水质模型及模型软件按空间层次分类进行了详细介绍,还介绍了水质模型研究的发展趋势。     

单元玻璃窑炉富氧燃烧空间的数值模拟研究

本文建立了单元玻璃窑炉富氧燃烧空间三维数学模型,其中气相流动模型由质量守恒定律、动量守恒定律、能量守恒定律和标准k-ε湍流模型组成,化学反应模型使用有限速率/涡耗散模型,辐射传热模型使用离散坐标模型.以年产2万吨玻璃纤维的熔窑为对象,利用Fluent软件对富氧燃烧空间内气体的流动状况和温度分布进行数值模拟.通过模拟结果与现场实测数据进行比较可以看出,该数学模型能够比较客观地反映单元玻璃窑炉富氧燃烧空间的温度场和速度场的分布规律.在此基础上,对喷枪的布置加以调整和改进后得到了更佳的模拟效果,还说明该数学模型对窑炉富氧燃烧在生产过程的研究和应用也有一定的指导作用.     

Multiscale Modeling of Superheated Steam Drying of Particulate Materials

A multiscale model for predicting the superheated steam drying behavior of a packed bed filled with particulate porous material is presented. By using a reaction engineering approach (REA) a semi-empirical model is developed that can describe the heat and mass transfer between a single particle and the surrounding drying agent. By analogy between superheated steam drying and hot air drying, the relative activation energy of the REA model is formulated. Next, the single-particle drying model is fed into a continuum-scale model of a packed bed. The temperature and moisture content of the solid and the vapor temperature are successfully predicted by the bed-scale model. To endow the bed-scale model with predictive capabilities, simulation results are compared with experimental literature data.     

基于混合模型的气流床气化炉建模

为了提高在煤质改变及工艺参数波动条件下气流床气化炉出口结果的预测精度,分别采用机理模型、广义回归神经网络（GRNN）模型以及混合模型对气化炉进行建模,其中混合模型由GRNN模型和机理模型构建,结合两种不同的煤样对三种模型的预测结果进行分析。结果表明：三种模型均可以较好地对气化过程进行模拟;其中在煤种固定的情况下混合模型关于气化温度和CO、CO₂及H₂含量的预测误差为0.18%和0.25%、1.72%及0.43%,与机理模型和GRNN模型相比误差更小;在煤种改变的情况下混合模型关于出口气体结果的预测最接近实际生产数据,误差为0.81%和0.11%、2.53%及0.42%。证明混合模型在煤种改变及工艺参数波动条件下可以有效地对气化过程进行模拟,在很大程度上提高了机理模型和GRNN模型的预测精度。     

乙烯精馏塔控制中降液管时滞效应影响分析

在精馏塔动态建模中忽略了降液管容积对液相流动及传质的滞后,导致模型与实际精馏塔存在明显差异。针对某实际乙烯精馏塔,通过机理分析建模,建立理论降液管模型,并在原精馏塔模型基础上构建了考虑降液管时滞效应的乙烯精馏塔动态模型。通过仿真,将该模型与原模型的动态特性进行比较,其差异性说明考虑降液管能够更加准确地把握精馏过程的动态特性。另外,对两种动态模型分别设计控制器,整定得到的控制器参数差别很大,说明忽略降液管的影响造成在此基础上设计的控制器可能不适用于实际装置。因此,在动态建模中考虑降液管能够更加准确地对精馏塔进行分析、控制和优化,具有一定的现实意义。     

预测纯流体表面张力的一个新模型

A new model based on the theoretical work of Boudh-Hir and Mansoori was developed for prediction of surface tension of pure fluids. The new model has the advantage of not requiring densities in the calculation, and the input parameters are critical temperature and connectivity indices. A total of 209 compounds covering a wide variety of substances were used to develop the model, and the overall correlative AAD is 4.21%. To test its predictive ability, the model is further used to predict the surface tension of 25 more compounds that were not included in the model development. The overall predictive AAD is 4.07%, which illustrates that the model is reliable. The model proposed is simple and easy to apply, with good predictive accuracy.     

Prediction of tensile modulus of nanocomposites based on polymeric blends

A simple model was proposed for predicting the Young’s modulus of nanocomposites based on polymeric blends. First, a simple model was derived for binary blends containing only two polymers. This model is more useful for those blends with high degree of continuity. Therefore, the morphology of the blend is divided into parallel and series regions and the percolation theory is used to calculate the volume fraction of these phases. In the next step, the addition of nanoclay, as a third component, is being considered. These nanoparticles may possibly find locations at the matrix, minor or interface. In the latter case, the model was expanded into a three-phase model including the matrix, dispersed and a third phase containing nanoclay which itself was split into series and parallel sections. A model related to the reinforcing effect of nanoclay was employed and combined with the above model to estimate the modulus of this ternary nanocomposite. The experimental data which is obtained from nanocomposite based on low-density polyethylene/thermoplastic starch/Cloisite 30B were compared with the model results and revealed a good agreement with each other. Also, the model predictions were compared with other experimental data from literature sources to verify the model accuracy. The comparison showed that the model predictions can predict the experimental data rationally. This model can be used to determine the structure of a nanocomposite without any other expensive tests.     

脱丙烷塔进料组成的预测

引言 精馏塔的操作,往往要控制塔顶或塔底关键组分的含量或某一其他性质,如炼油厂气体分离装置脱丙烷塔的塔顶丙烷含量[1].     

Process simulation of gas-to-particle-synthesis via population balances: Investigation of three models

The simulation of complex gas-phase reactors for the synthesis of fine particles requires the coupling of particle and fluid dynamics. A previously developed CFD-coupled simulation technique based on a monodisperse population balance model is an efficient tool but seriously restricted when the product's polydispersity is of interest. Therefore, two other sectional population balance models have been developed: an extended 1-dimensional model and a simplified 2-dimensional model. Comparing calculations were performed with all three models, and temperature, concentration and sintering time were chosen as varying parameters. Using the 2-dimensional model as a benchmark, the conformity with the 1-dimensional sectional model is excellent for all cases investigated. Hence, due to the enormous difference in computational effort and time, clear preference can be given to the simpler sectional model. With respect to the monodisperse model, quite satisfactory results are found deviating mainly because of the typical, slower coagulation behavior of monodisperse particle systems. As a CFD-coupled technique only the 1-dimensional model is considered as an alternative to the simple monodisperse model as the computational demand of the 2-dimensional model is extremely high. A simple test simulation proves that the 1-dimensional model coupled with a commercial CFD software is a generally feasible technique. However, the computational time required is tremendous and impedes the present application.     

基团贡献状态方程的开发与热力学模型参数的理论预测

热力学模型是研究流体相行为和热力学性质的重要工具。理论模型的有效应用离不开模型参数的确定。为赋予热力学模型的预测功能，目前的策略一是建立基团贡献(GC)状态方程(EOS)，二是探索热力学模型参数的理论预测方法。围绕先前开发的变阱宽方阱链流体状态方程(SWCF-VR)，采用基团贡献法思路获得了不同基团对模型参数的贡献值，建立了GC-SWCF方程，证实GC-SWCF方程能满意预测纯物质的密度。进一步将似导体屏蔽模型(COSMO)与SWCF结合，基于COSMO方法获得了192种有机化合物的SWCF方程的模型参数，这是一种不依赖实验数据确定模型参数的理论方法。发现COSMO+SWCF能较好地预测纯物质的密度。引入一个与温度无关的二元交互作用可调参数后，GC-SWCF与COSMO+SWCF都可应用于二元混合物密度与气液相平衡的计算中。     

Application of UNIFAC models for prediction of vapor-liquid and liquid-liquid equilibria relevant to separation and purification processes of crude biodiesel fuel

Vapor-liquid equilibrium (VLE) of the methanol-biodiesel (BDF)/glycerin binary system and liquid-liquid equilibrium (LLE) of the water-BDF binary system and the methanol-BDF-glycerin and methanol-water-BDF ternary systems were predicted using several UNIFAC models: the latest original UNIFAC model, Kikic’s model, Fornari’s model, Dortmund-UNIFAC model, and LLE-UNIFAC model. The former VLE and latter LLE are used to design methanol recovery processes and separation and purification processes of crude BDF, respectively. Unfortunately, LLE data on the water-BDF binary system was not available. Instead, solubility of water in fatty acid methyl ester (one of the BDF constituents) was measured. By examining the deviation between predicted and experimental results, we determined which of the UNIFAC models was more useful for the design of those processes as follows: either the original UNIFAC model or Dortmund-UNIFAC model should be used for the methanol recovery process. The LLE-UNIFAC model and Dortmund-UNIFAC model were more useful for the recovery and water-washing processes of crude BDF and purification process of water-washed BDF, respectively.     

三元催化转化器数学模型的发展研究

介绍了三元催化转化器的结构及工作原理,论述了目前开发出的催化转化器的各种数学模型,包括温度模型,二维模型,多维模型,及动力学模型等。对今后催化转化器数学模型的研究方向做了展望。     

重质气体泄漏扩散模型研究综述

扼要概括和评价了重质气体泄漏扩散的三种主要模型：唯象模型、工程模型、三维传递现象模型,唯象模型和工程模型由于使用方便、概念清晰且计算量较小,主要用于风险评估和环境评估系统,是应急咨询和安全设计的重要工具。而三维传递现象模型能够更好地描述重气在复杂地形和气象条件下的扩散过程。通过各类模型的介绍指出了近几年重气泄漏扩散模型将向多组分重气在复杂地形、气象条件下的扩散模拟研究等方向发展。