Multiscale and multilayer structural modeling and simulation on drying of grain packing porous media

ABSTRACT

Aiming at the problem of multilayer physical structure for the skeleton of porous media, a multiscale and multilayer structural model of heat and mass transfer processes for drying of grain packing porous media was established by applying the pore network method and multiscale theory. An experimental study on rice drying was conducted in order to validate this model. The simulation and experimental results indicated that the established model could explain the mechanical properties of rice drying well. The rate of heat transfer was faster than the rate of mass transfer and there was a higher moisture gradient inside the rice grain. The diffusion coefficient of rice embryo played an important role in the drying process, and whose effect on drying was larger than the diffusion coefficient of rice hull and chaff. The moisture was imprisoned effectively inside the rice when the diffusion coefficient of rice embryo was very small.     

蛋白质分子在聚丙烯酰胺凝胶中扩散和分配特性的研究

利用凝胶内溶质分子向缓冲溶液中扩散的方法,测定了溶菌酶、β－乳球蛋白、卵清蛋白、牛血清白蛋白和γ－球蛋白５种蛋白在聚丙烯酰胺凝胶中的有效扩散系数和分配系数,研究了单体质量浓度、交联度和蛋白分子粒径等因素的影响,讨论了聚丙烯酰胺凝胶中蛋白分子的扩散和分配机制,发现不能用Ｏｇｓｔｏｎ理论解释聚丙烯酰胺凝胶中蛋白分子的扩散和分配特性     

纸张干燥中湿分扩散系数的估算

纸张干燥过程涉及到多孔介质的热质传递,如何确定质量扩散系数是所建立的多孔物料湿分扩散模型能否进行数值计算的关键。按Liukov公式将湿分扩散系数视为含湿质量分数的非线性函数,在恒温下进行纸张干燥实验,通过比较湿分蒸发质量的测量值与理论计算值,采用多变量寻优的方法对多孔介质一维情况下的湿分扩散系数进行估算,得到了实验条件下的纸张湿分扩散系数的计算公式。并进一步确定了纸张中的湿分扩散系数与含湿质量分数和温度之间的函数关系式。     

Transport properties of porous media from the microgeometry of a three-dimensional voronoi network

In this work a way of calculating effective transport coefficients from the microgeometry of a porous medium is presented. The model material consists of a random packing of uniform spheres, and by applying the Voronoi—Delaunay tessellation technique the void between the spheres is simulated as a network of cylindrical pores. The tessellation yields all the necessary information for the structural characterization, such as the pore diameter, pore angle and pore length distribution functions and the topological interconnection. The effective transport coefficients of ordinary diffusion, Knudsen flow and viscous flow are calculated numerically by mass balancing at each network node and over all nodes of the system. The results obtained agree very well with the experimental ones, especially for ordinary diffusion. For Knudsen and viscous flow, inaccuracies in the estimation of the pore overlapping volume cause a relative error between the numerical and experimental results of the order of 16%–33%.     

纳米流体在生物组织内有效扩散系数的Monte Carlo模拟

基于肿瘤热疗研究方向,将生物组织提炼成多孔介质,采用Monte Carlo方法对纳米流体在生物组织内的有效扩散系数进行了数值模拟,并分析了各种不同多孔结构（圆形、椭圆形）、不同大小、不同排列方式等结构因素对有效扩散系数的影响。发现纳米微粒在多孔介质内的扩散过程中存在“口袋效应”。模拟结果与理论公式相符,并通过实验数据验证了该方法的正确性。     

数字全息干涉法测量液相质扩散系数的研究

介绍数字全息干涉法测量原理.设计并搭建基于数字全息干涉法和新的扩散槽测量质扩散系数的实验系统,并使用此系统测量了浓度为0.33 mol/l的KCl水溶液在温度为291.8、294.7、298.8、299.8、305.4、308.5、315.2 K条件下的质扩散系数,实验结果表明实验值和文献参考值之间相对偏差绝对值的平均数为1.3%,验证了试验系统的精确性和可靠性.最后,在此系统上测量了浓度为0.1 mol/1的蔗糖水溶液在288.15～338.15 K温度范围内的质扩散系数.为测量工程上急需新型燃料替代工质和新型制冷剂替代工质的质扩散系数提供了一种新的有效方法.     

Re-examination of the relationship between packing coefficient and thermal expansion coefficient for aromatic polyimides

The existence of a possible relationship between molecular packing coefficient and thermal expansion coefficient for various aromatic polyimides was investigated. Rod-like low-thermal-expansion polyimides without side groups were seen to have very high packing coefficients, pointing to free volume as a factor in lowering their thermal expansion coefficients. But the small packing coefficients for low-thermal-expansion polyimides with side groups indicated that this was not so. Also, even if the large packing coefficients tended to increase the Young's moduli for these polyimides without side groups, the rod-like polyimides with side groups have small packing coefficients and large Young's moduli. The polyimides with low packing coefficients were found to have very small diffusion coefficients for water vapour.     

基于分形理论的油页岩有效扩散系数研究

以直径为1.6—2 mm柳树河油页岩为原料,采用扫描电镜法与氮吸附法得出油页岩吸附-脱附等温线,孔径分布曲线等;分析了油页岩内部孔隙结构,计算出孔道弯曲分形维数与孔隙面积分形维数,并研究油页岩内部的有效扩散系数。结果表明:油页岩吸附-脱附曲线属于Ⅲ型等温线,是一种典型的二端都开放的管状毛细孔型结构的多孔物质;其含有较发达孔隙,孔径分布为0.4—40 nm;油页岩孔道弯曲分形维数越小,孔道越平坦,孔隙面积分形维数为2.464;油页岩有效扩散系数与其内部结构和操作温度有关,温度越高,粒径越小,有效扩散系数越大。     

Experimental measurement of the effective diffusion and thermodiffusion coefficients for binary gas mixture in porous media

Thermodiffusion or Soret effect, corresponding to a mass flux caused by a temperature gradient applied to fluid mixture, has been taken into account in many porous media applications, particularly in chemical engineering and geophysics. In the literature, the effective macro-scale diffusion coefficients are now well established, while uncertainty remains concerning the relationship between the effective thermodiffusion coefficient and micro-scale parameters (such as pore-scale geometry). Our previous study on theoretical model of effective thermodiffusion coefficient for a pure diffusion regime confirmed that the tortuosity factor acts in the same way on both Fick diffusion coefficient and on thermodiffusion coefficient.In this study, new experimental results obtained with a two bulb apparatus are presented. The diffusion and thermodiffusion of a helium–nitrogen and helium–carbon dioxide system through cylindrical samples filed with glass spheres of different diameter are measured at the atmospheric pressure. Concentrations are determined by analyzing the gas mixture composition in the bulbs with a katharometer device. A transient-state method for coupled evaluation of thermodiffusion and Fick coefficient in two bulbs system is proposed. The obtained results are in good agreement with theoretical results from previous study and emphasize the porosity of the medium influence on both diffusion and thermodiffusion process. The tortuosity of the medium calculated using both effective diffusion and effective thermodiffusion coefficients are the same.     

Separation performance investigation of packed distillation columns using simple NEQ approach based on packing multicomponent efficiencies and effective mass transfer coefficients

A simple non-equilibrium modeling approach is proposed to simulate multicomponent distillation process in packed columns. The real behavior of the column is simply considered by the evaluation of interphase mass transfer rate based on the overall mass transfer coefficient. Two distinct methods are used to calculate this overall coefficient including the effective mass transfer coefficient method and the packing efficiency method. The modelling procedure consists of an iterative segment-wise algorithm implemented in a MATLAB home-code. For verification, the obtained composition profiles from a structured and a random packed column are compared with reported experimental data. Comparisons show that the packing efficiency-based model could acceptably predict the experimental profiles with an average relative deviation of 18% and 25% for structured and random packed columns, respectively. This confirms that our simple non-equilibrium approach is a reliable and robust model for the performance evaluation of packed columns.     

Mass transport in a hydrogen gas diffusion electrode

Experimental data are presented concerning the diffusion-limited current density for hydrogen oxidation in a gas diffusion electrode (GDE) under various conditions. These current densities were obtained using mixtures of hydrogen and inert gases. To elucidate the dependence of the overall mass transport coefficient on the gas phase diffusion coefficient and the liquid phase diffusion coefficient of the hydrogen, a simplified model was derived to describe the transport of hydrogen in a GDE based on literature models. The GDE consists of a hydrophobic and a hydrophilic layer, namely a porous backing and a reaction layer. The model involves gas diffusion through the porous backing of the GDE combined with gas diffusion, gas dissolution and reaction in the reaction layer of the electrode. It was found that the transport rate of hydrogen under the experimental circumstances is determined by hydrogen gas diffusion in the pores of the porous backing, as well as in the macropores of the reaction layer. Diffusion of dissolved hydrogen in the micropores of the reaction layer, through the liquid, is shown to be of little significance.     

High-temperature dynamic laser light-scattering characterization of polyethylene in trichlorobenzene

Polyethylene samples were characterized in trichlorobenzene at 135°C by high-temperature dynamic laser light scattering (LLS). Precise measurements of the intensity-intensity time correlation function permit us to make a Laplace inversion to obtain an estimate of the normalized translational diffusion coefficient distribution [G(D)]. After establishing a calibration between the translational diffusion coefficient (D) and molar mass, by using six moderately dispersed polyethylene samples, we were able to transform G(D) to molecular weight distribution (MWD), and to calculate the weight average molecular weight (M_w), which weights were comparable with the ones obtained by using static LLS and size exclusion chromatograph (SEC). The advantages and limitations of using dynamic LLS as a routine method to characterize of polyethylene are discussed. © 1993 John Wiley & Sons, Inc.     

Residence time distribution in a packed bed bioreactor containing porous glass particles: Influence of the presence of immobilized cells

An experimental investigation of the liquid phase residence time distribution (RTD) in a packed bed bioreactor containing porous glass particles is presented. For Re < 1, intraparticle forced convection is negligible and only diffusion, characterized by an effective diffusion coefficient, must be considered to describe the mass transfer process between the extraparticle and the intraparticle fluid phase. For Re > 1, the mass transfer rate becomes dependent on the liquid flow rate, indicating the existence of intraparticle convection. A model including axially dispersed flow for the external fluid phase and an ‘apparent’ effective diffusivity that combines diffusion and convection, predicts experimental RTD data satisfactorily. Yeast cells immobilized inside the porous glass beads did not affect the mass transfer rate at low biomass loading. At high biomass loading (0·02 g yeast cells g^?1 carrier), the mass transfer rate between the extraparticle and intraparticle fluid phase was significantly decreased. Comparison of the RTD data from experimets performed in the presence and absence of cells in the external fluid phase revealed that the mass transfer rate is influenced by the cells immobilized inside the porous particles and not by the cells present in the external fluid phase.     

Coating porous silica by in situ polymerization of peo macromonomers for size exclusion separation of proteins

A coating method using comb-like polymers with poly(ethylene oxide) (PEO) grafts is described and studied in order to use porous silica as phase in size exclusion chromatography (SEC) of proteins. The coating is carried out by in situ polymerization and crosslinking of methacrylates of PEO with OH end groups (macromonomers) after deposition from a solution. A series of phases was prepared using two different graft lengths and two different crosslinking agents in different proportions. The efficiency of the coatings to mask the silanol groups of the matrix is characterized by pH metric titration and the best coating conditions are deduced. From calibration with PEO standards and with proteins, the SEC behavior of each phase is analyzed from column experiments and compared to results of pH metric measurements. A close interdependence between the two methods is observed. The optimized phases exhibit very good performance in SEC, except with low molecular weight basic proteins which interact with some residual unmasked silanol groups. The presence of these groups is attributed to the intrinsic porosity of the polymeric layer which increases with the length of the grafts.     

Critical review of the impact of tortuosity on diffusion

Most of the present formulations for the mass conservation of species do not correctly represent changes in the time scale of diffusion as a function of porosity in a system of porous media. In sediments, or in any porous system, the presence of solid particles causes the diffusion paths of species to deviate from straight lines. To represent the role of porosity on diffusion, the diffusion coefficient must be scaled with tortuosity. In this paper we present a review of the available formulations for the scaled diffusion coefficient with tortuosity, sensitivity tests with analytical solutions, and calibration of these formulations with respect to measured data.     

The measurement of transport coefficients in gas-solid heterogeneous reactions

If reasonably uniformly sized spherical pellets are packed in a tube only slightly larger in size, so that the tube/pellet dia ratio is from 1·1 to 1·4, and the tube contains 50 or more pellets, then the flow behaviour is very similar to that of a conventional packed bed. Pressure drop results and axial dispersion values obtained for non-porous pellets using pulse techniques can be predicted from existing packed bed correlations. Magnetite pellets of different porosities were used as porous packing, also, and, by Fourier analysis of outlet tracer pulse dispersion, external mass transfer and effective diffusion coefficients were obtained, assuming the validity of the Kubin-Kucera model. The use of this ‘single pellet string reactor’ (SPSR) appears to give a convenient laboratory simulation of a packed bed reactor, which would be particularly useful for larger solid particles such as pelletized ores. It also offers a convenient laboratory method for obtaining average effective diffusion coefficients over a range of temperatures and pressures for a representative sample of large porous particles.     

On the validity of Fick's law for transient diffusion through a porous medium

The method of spatial averaging is applied to derive a macroscopic form of Fick's law for unsteady diffusion through a rigid porous medium. The validity of this form is found to be restricted by the requirements that diffusion is quasi-steady on a pore scale and that interphase mass transfer rates depend at most linearly upon concentration. Under these conditions the effective diffusivity of the porous medium involves the product of the molecular diffusivity and a dimensionless “intrinsic conductivity” of the porous medium, which is found to be a symmetric and positive definite second order tensor. A reciprocal theorem plays a key role in achieving the macroscopization of Fick's law.     

DUSTY-GAS PARAMETERS OF ACTIVATED CARBON ABSORBENT PARTICLES

Industrial gas phase adsorption processes often operate in the transition region of transport and the currently employed effective pore diffusion models cannot describe accurately the mass fluxes in this transport regime. The dusty-gas model provides appropriate constitutive equations for the mass fluxes in the transition region of transport, and it is expected to replace in the future the models currently used to describe mass transfer in porous adsorbent particles. In order to use the dusty-gas model estimates of the viscous, Knudsen diffusion, and molecular diffusion permeability constants of the adsorbent must be known.

Gas flow and Wicke-Kallenback experiments were performed and from the experimental data and the dusty-gas expressions, the viscous, Knudsen diffusion, and molecular diffusion permeability constants of activated carbon adsorbent particles were, for the first time, calculated     

Restricted Diffusion of Chromium Nitrate Salt Solutions into Porous Sol-Gel-Silica Monoliths

The non-steady-state diffusion of chromium nitrate salt solutions into porous gel-silica monoliths has been studied by optical absorption for a range of pore morphologies. The effective diffusion coefficient for the hexa-aqua species decreases by 50 times the bulk diffusion coefficient for the smallest pore size investigated. These results indicate that pores smaller than the average pore size might be controlling the effective diffusion of chromium into the porous silica network or that additional forces, due to the smaller size of the pores, are contributing to the reduction of the ion's movement.