Biodegradation Phenomena during Soil Vapor Extraction. III. Sensitivity Studies for Two Substrates

Abstract

In the bioventing technique, soil vapor extraction (SVE) is used to promote aerobic biodegradation of contaminants in the vadose zone. Kinetics limited by mass transport of the contaminant and/or oxygen through the aqueous phase to the microorganisms and of contaminant to the gaseous phase may be expected during field operation. Sensitivity studies were performed with a one-dimension model for two substrates showing competitive inhibition, following Monod's kinetics. The mass transfer limitations were represented by means of lumped parameters, and results for high and low values of these parameters were compared. Under kinetics severely limited by mass transport processes, biodegradation occurs at a rate given by the availability of dissolved oxygen, and important contributions of biological degradation to the overall cleanup are expected if oxygen is not utilized exclusively for the oxidation of other substances than the target contaminant. For relatively fast mass transport kinetics the system becomes quite sensitive to a rather large number of parameters, but important reductions in the remediation time will usually occur if high removal percentages are mandated.

     

Modelling low-temperature carbonisation of solid fuels in a heated rotary kiln for clean fuel production

A numerical simulation of the physico-chemical processes occurring inside a heated rotary kiln reactor, where coal, lignite or biomass are treated in vacuum for the production of clean solid fuel, has been performed with FLUENT6 Computational Fluid Dynamics (CFD) code. The model accounts for the rotation of the kiln walls and mixing blades, multiphase flow modelling of the solid (fuel) and gaseous (mixture of gases) phases, heat transfer between phases and the heated kiln walls and mass transfer due to chemical reaction between species of different (heterogeneous) phases. The objective is to contribute towards a reliable numerical methodology as a design tool with reference to the fuel feed properties (e.g. solids size, volatile, carbon and moisture content, feed rate) and process requirements (e.g. desired residence time). Kiln wall erosion is also assessed.     

Parametric sensitivity of the ignition process to mass transfer in adiabatic tubular reactors with exothermic heterogeneous reactions

The alternative effects of reaction kinetics, mass, heat and momentum transport on mass conversion by chemical reactions are examined theoretically for a reacot tube with laminar flow. The reaction enthalpy is considered. A heterogeneous reaction between several gaseous components takes place at the inner surface of this reactor tube. Strongly exothermic reactions lead to self-acceleration of the reaction, unless reaction enthalpy is removed through the tube wall. Under certain conditions, there will be a sudden change from mass transfer controlled by the reaction to that controlled by diffusion. This phenomenon is known as ignition of the reaction. The effect of ignition and its sensitivity to reaction enthalpy, thermal conductivity and diffusivity of the fluid as well as activation energy of the first order heterogeneous wall reaction are investigated by a numerical solution of the transport equations. Axial conduction of heat and mass is neglected both in the fluid and in the tube wall. Non-stoichiometric wall reactions of first order, with temperature dependent reaction rates and equilibrium constants, are considered. The results are presented in graphical form, as plots of the local mass flux at the reacting wall as functions of the dimensionless tube length.     

Mass transfer with chemical reaction inside single droplets and gas bubbles: Mathematical mechanisms

The effect of a first order homogeneous chemical reaction on the rate of mass transfer inside liquid droplets and gas bubbles was determined. One of the models presented assumes the non-oscillating dispersed phase is moving in the creeping flow region and the Hadamard stream functions are applicable. The results of the numerical solution of this model are presented graphically as a function of the Peclet number, reaction number, and dimensionless contact time. An oscillating droplet model is also presented which considers the effect of reaction within the dispersed phase.     

Solid electrolyte membrane reactor for controlled partial oxidation of hydrocarbons: Model and experimental validation

A mathematical model of a solid electrolyte membrane reactor is presented which accounts for the prevailing physical phenomena of the electrochemical partial oxidation of n-butane to maleic anhydride. From an analysis of characteristic dimensionless numbers it was concluded that the reactor behaviour can be described by a one-dimensional pseudo-homogeneous approach with respect to the anodic gas channel and a one-plus-one-dimensional electrochemical model. Beside mass and charge transport processes, electrochemical charge transfer reactions as well as heterogeneously catalysed oxidation reactions are considered. As kinetic model a modified Mars–van Krevelen approach is suggested. Experimental results of oxygen pumping and butane oxidation experiments were used to determine kinetic parameters and to validate the model.     

旋转床超重力环境下多相流传递过程研究进展

旋转填充床作为一种高效的传质、分离与反应设备,在化工、环境保护、纳米材料制备、能源、制药等工业过程得到广泛应用。本文对旋转填充床超重力环境下,流体力学特性、传质性能、微观混合、多尺度传递特性等方面的研究进行了总结归纳。近年来,随着计算机科学与多相流传递过程的研究进展,对传递过程的研究也由实验手段为主转变为实验与数值模拟相结合的手段,对有关的数值模拟研究以及相应的多相流模型也予以总结描述。在此基础上,对旋转填充床超重力环境下多相流研究的未来发展提出了有关设想。     

Heat and mass transfer in non-isothermal absorption of gases in falling liquid films Part II: Theoretical description and numerical calculation of turbulent falling film heat and mass transfer

A mixing length turbulence model is presented, which was used for the numerical calculation of turbulent falling film heat and mass transfer coefficients. Numerous proposals of different authors for the prediction of eddy transport coefficients are discussed. Good agreement between calculated heat and mass transport coefficients and experimental data was achieved by the combination of Hubbard, Mills and Chung's proposal for the calculation of eddy transport near the film surface with a modified form of van Driest's, the latter being for the eddy transport near the solid wall. Furthermore, the dependence of the turbulent falling film heat transfer coefficients on the Prandtl number is discussed. It is shown that, besides the Prandtl number, a further dimensionless group must be considered in order to describe the effect of liquid properties on heat transfer.     

Numerical investigation of the evaporation of two-component droplets

A numerical model for the complete thermo-fluid-dynamic and phase-change transport processes of two-component hydrocarbon liquid droplets consisting of n-heptane, n-decane and mixture of the two in various compositions is presented and validated against experimental data. The Navier-Stokes equations are solved numerically together with the VOF methodology for tracking the droplet interface, using an adaptive local grid refinement technique. The energy and concentration equations inside the liquid and the gaseous phases for both liquid species and their vapor components are additionally solved, coupled together with a model predicting the local vaporization rate at the cells forming the interface between the liquid and the surrounding gas. The model is validated against experimental data available for droplets suspended on a small diameter pipe in a hot air environment under convective flow conditions; these refer to droplet’s surface temperature and size regression with time. An extended investigation of the flow field is presented along with the temperature and concentration fields. The equilibrium position of droplets is estimated together with the deformation process of the droplet. Finally, extensive parametric studies are presented revealing the nature of multi-component droplet evaporation on the details of the flow, the temperature and concentration fields.     

Influence of the operating conditions on yield and selectivity for the partial oxidation of ethane in a catalytic membrane reactor

In this study, simulation results are presented for the partial oxidation of ethane to ethylene in a Catalytic Membrane Reactor (CMR) under isothermal and non-isothermal conditions. Considering the importance of the transport processes, a 2D model was developed and implemented in FLUENT^® using self-designed program modules for reaction kinetics, transport properties and post-processing. An analysis of significance of the influencing variables is carried out on the basis of a reference case. The number of parameters were minimized by the dimensionless formulation of the model. One of the most important variables is the oxygen dosage through the membrane. Both velocity and oxygen concentration of the trans-membrane stream were varied with the aim of attaining maximum ethylene yield. The results of the different simulations clearly show the advantages of the CMR compared to the Catalytic Wall Reactor (CWR). The numerical simulations are essential in order to reduce the experimental costs and to evaluate different reactor concepts.     

Cyclic adsorption separation processes: analysis strategy and optimization procedure

An innovative analysis strategy and an optimization procedure have been developed with the purpose of design, evaluation and optimization of small- and large-scale units of cyclic adsorption processes using the classical Skarstrom's cycle: pressure swing adsorption (PSA) and vacuum swing adsorption (VSA).The system of partial differential equations of the dynamic simulator model was solved using a recent numerical technique developed within our group, based on an adaptive multiresolution approach, thus ensuring stability and accuracy. The simulator provides models for the multiple phenomena involved in fixed-bed adsorption: pressure drop, mass transfer resistance and energy balance.An extended parametric analysis is presented for the particular case of oxygen production from air by PSA and VSA: influence of the normalized purge flow rate, the high and low pressure values, dimensionless pressurization time, dimensionless production time, pressure drop and temperature in the bed.     

Verification and validation of CFD models and dynamic similarity for fluidized beds

Claims and suggestions in the literature that verification or validation of CFD numerical models has been achieved for fluidized beds are shown to be inconsistent with objective criteria and accepted usage of terminology. Verification involves confirming the accuracy of the computational aspect of the model, for example by comparing results against known solutions, something that is virtually impossible in dense multiphase systems, except for trivial cases. Validation requires objective consideration of computational and numerical error, as well as comparison of model predictions and experimental data over broad ranges of conditions. More care is required in applying these terms, and in planning and conducting experiments to test the validity of fluidized bed numerical codes. Similar considerations apply to experimental attempts to confirm the completeness of sets of matched dimensionless groups used for dynamic scaling of multiphase systems.     

Multicomponent ion exchange column dynamics

Simple model equations which consider different rate control mechanisms are formulated for fixed bed multicomponent ion exchange processes. Efficient and accurate numerical methods are developed for solving these equations for liquid phase, solid phase or combined phase control. The algorithms are applicable to both ion exchange and liquid adsorption and are shown to be extendable to a general form of isotherms. The accuracy of the numerical algorithm is evidenced by the fact that the asymptotic limiting equilibrium solutions are closely approached as the dimensionless length parameter is increased, regardless of the rate control mechanism. Numerical examples for ion exchange applications are presented. These examples included multicomponent elution and purification problems. The effect of mass transfer resistance was also examined. Other examples examine the validity of a model reduction assumption and the comparison of equilibrium theory with the results obtained using the present finite mass transfer rate model.     

Air stripping of hydrocarbon-contaminated soils: Investigation of mass transfer effects

Bench-scale experiments were carried out to simulate air stripping of soil contaminated with a semi-volatile hydrocarbon, n-octane. The experiments were conducted in an 8-cm diameter glass column, packed with two types of packings: glass beads to represent non-adsorbing materials and soil particles to represent adsorbing materials. Effects of gas superficial velocity, particle size and soil organic matter on the column outlet concentration and temperature profile were studied. Nitrogen adsorption/desorption experiments were performed to establish the desorption characteristics of the soil sample. Additionally, a mathematical model is presented which treats the interphase contaminant transport as a mass transfer rate-limited process. The predictions from the mathematical model are shown to be in good agreement with the experimental results. Most importantly, the numerical results show that, contrary to the common assumption of local equilibrium, the interphase contaminant transport (from the sorbed to the vapour phase and/or from the liquid to the vapour phase) is mass transfer controlled.     

生物通风过程中的甲苯运移及生物降解

Bioventing is conducted on one-dimensional soil columns. A numerical model is developed for simulating the mass exchange, adivective and dispersive transport and biodegradation of toluene. The model parameters are estimated independently through laboratory batch experiments, or from literature. Simulations are found to provide reasonable agreement with experimental data. Experimental results show that toluene removal due to biodegradiation is more important at the later stage. The total cleanup time when NAPL (non-aqueous phase liquid) phase exists was twice more than that without NAPL. Sensitivity analysis of parameters suggests that model predictions are mainly dependent on mass transfer coefficient and microbial parameters, such as the half-saturation coefficient and maximum specific substrate utilization rate.     

生物通风过程中的甲苯运移及生物降解

Bioventing is conducted on one-dimensional soil columns.A numerical model is developed for simulating the mass exchange,advective and dispersive transport and biodegradation of toluene.The model parameters are estimated independently through laboratory batch experiments,or from literature.Simulations are found to provide reasonable agreement with experimental data.Experimental results show that toluene removal due to biodegradation is more important at the later stage.The total cleanup time when NAPL(non-aqueous phase liquid)phase exists was twice more than that without NAPL.Sensitivity analysis of parameters suggests that model predictions are mainly dependent on mass transfer coefficient and microbial parameters,such as the half-saturation coefficient and maximum specific substrate utilization rate.     

A generalized approach to model oxygen transfer in bioreactors using population balances and computational fluid dynamics

In many biological processes, increasing the rate of transport of a limiting nutrient can enhance the rate of product formation. In aerobic fermentation systems, the rate of oxygen transfer to the cells is usually the limiting factor. A key factor that influences oxygen transfer is bubble size distribution. The bubble sizes dictate the available interfacial area for gas-liquid mass transfer. Scale-up and design of bioreactors must meet oxygen transfer requirements while maintaining low shear rates and a controlled flow pattern. This is the motivation for the current work that captures multiphase hydrodynamics and simultaneously predicts the bubble size distribution.Bubbles break up and coalesce due to interactions with turbulent eddies, giving rise to a distribution of bubble sizes. These effects are included in the modeling approach by solving a population balance model with bubble breakage and coalescence. The population balance model was coupled to multiphase flow equations and solved using a commercial computational fluid mechanics code FLUENT 6. Gas holdup and volumetric mass transfer coefficients were predicted for different superficial velocities and compared to the experimental results of Kawase and Hashimoto (1996). The modeling results showed good agreement with experiment.     

A model for collisional exchange in gas/liquid/solid fluidized beds

A new model is presented for numerical simulations of collisional transfer of mass, momentum and energy in gas/liquid/solid fluidized beds. The mathematical formulation uses a collision model similar to that of Bhatnagar, Gross, and Krook (BGK), in a particle distribution function transport equation, in order to approximate the rates at which collisions bring about local equilibration of particle velocities and the masses, compositions, and temperatures of liquid films on bed particles. The model is implemented in the framework of the computational-particle fluid dynamics (CPFD) numerical methodology, in which the particle phase is represented with computational parcels and the continuous phase is calculated on Eulerian finite-difference grid. Computational examples using the Barracuda^® code, a commercial CFD code owned by CPFD Software, LLC, show the ability of the model to calculate spray injection and subsequent liquid spreading in gas/solid flows.     

微/小通道内非牛顿流体多相流动与传热研究展望

概述了微/小尺度非牛顿流体多相流动与传热现象。在评述国内外已有文献的基础上,从实验研究与数值模拟二方面介绍了非牛顿流体管内多相流动与传热研究的现状、存在的问题。总结了微小通道内非牛顿流体多相流动与传热研究领域中若干值得探索的研究切入点,提出了若干值得探索的研究内容。讨论了非圆截面微通道试验器件的设计与加工、流动可视化与流型采集、流动参数测量、数值模拟等关键技术解决思路,给出了微/小通道内非牛顿流体的绝热气液二相流动可视化实验、流动沸腾传热及可视化实验设计方案,可为深入探索微/小尺度非牛顿流体管内多相流动与传热特性提供参考和借鉴。     

Eulerian–Lagrangian method for three-dimensional thermal reacting flow with application to coal gasifiers

Energy transport and chemistry are modeled in an extension of the Eulerian–Lagrangian computational particle fluid dynamics (CPFD) methodology. The CPFD methodology is based on the MP-PIC method, which uses a stochastic particle method for the particle phase and an Eulerian method for the fluid phase, to solve equations for dense particle flow. In our extension of CPFD, an enthalpy equation describes energy transport for fluid, and provides for transfer of sensible and chemical energy between phases and within the fluid mixture. Homogenous and heterogeneous chemistry are described by reduced-chemistry, and the reaction rates are implicitly solved numerically on the Eulerian grid. Inter-phase momentum and energy transfer are also implicitly calculated, giving a robust numerical solution from the dilute flow to close-pack limits. A three-dimensional example of a hot fluidized bed coal gasifier is presented with homogeneous and heterogeneous chemistry. The inter-dependencies of fluidization, thermal, and chemistry behaviors in this complex three-dimensional calculation are described.     

Characterising PEM Fuel Cell Performance Using a Current Distribution Measurement in Comparison with a CFD Model

The characterisation of a proton exchange membrane (PEM) fuel cell with a straight channel flow field design is performed. Spatially resolved current distribution measurements, at different air flow rates, are compared to numerical simulation results. The numerical model is validated by agreement of the measured and simulated current distribution. The test cell is segmented. It is operated at steady state conditions and the gas flow rates and cell temperature are controlled. The numerical simulation is realised with a PEM fuel cell model based on FLUENT™ computational fluid dynamics (CFD) software. It accounts for mass transport in the gaseous phase, heat transfer, electrical potential field and the electrochemical reaction. It provides three‐dimensional distributions of, e.g., current densities, reactant concentrations and temperature.