Coupled simulation of the flue gas and process gas side of a steam cracker convection section

A coupled simulation of the flue gas and process gas side of the convection section of a steam cracker is performed, making use of the CFD software package Fluent. A detailed overview of the operating mode of the different heat exchangers suspended in the convection section is obtained. The asymmetric inlet flow field of the flue gas in the convection section, and the radiation from the convection section walls leads to large differences in outlet temperatures of the tubes located in the same row. The flow fields and temperature fields in the tubes of a single heat exchanger differ significantly with e.g., outlet temperatures of the hydrocarbon‐steam mixture ranging from 820 K to 852 K. Moreover, the simulations reveal the presence of hot spots on the lowest tube row, possibly causing fouling. © 2009 American Institute of Chemical Engineers AIChE J, 2009     

First principle‐based simulation of ethane steam cracking

A consistent set of ab initio‐based kinetic and thermodynamic data is applied for the simulation of an ethane steam cracking furnace. The thermodynamic data are calculated using accurate quantum chemical CBS‐QB3 calculations including corrections for hindered internal rotation. The kinetics are obtained from CBS‐QB3‐based group additive models. With these thermodynamic and kinetic data, simulations for pilot and industrial ethane steam cracking reactors over a wide range of process conditions are performed. It is shown that, without adjusting any parameter, the main product yields can be predicted within 15% rel. of the experimentally observed cracking yields. This indicates the tremendous potential of integrating ab initio methods with engineering models for accurate reactor simulations. © 2010 American Institute of Chemical Engineers AIChE J, 2011     

Computational fluid dynamics‐based design of finned steam cracking reactors

The use of one‐dimensional reactor models to simulate industrial steam cracking reactors has been one of the main limiting factors for the development of new reactor designs and the evaluation of existing three‐dimensional (3‐D) reactor configurations. Therefore, a 3‐D computational fluid dynamics approach is proposed in which the detailed free‐radical chemistry is for the first time accounted for. As a demonstration case, the application of longitudinally and helicoidally finned tubes as steam cracking reactors was investigated under industrially relevant conditions. After experimental validation of the modeling approach, a comprehensive parametric study allowed to identify optimal values of the fin parameters, that is, fin height, number of fins, and helix angle to maximize heat transfer. Reactive simulations of an industrial Millisecond propane cracker were performed for four distinct finned reactors using a reaction network of 26 species and 203 elementary reactions. The start‐of‐run tube metal skin temperatures could be reduced by up to 50 K compared to conventionally applied tubular reactors when applying optimal fin parameters. Implementation of a validated coking model for light feedstocks shows that coking rates are reduced up to 50%. However, the increased friction and inner surface area lead to pressure drops higher by a factor from 1.22 to 1.66 causing minor but significant shifts in light olefin selectivity. For the optimized helicoidally finned reactor the ethene selectivity dropped, whereas propene and 1,3‐butadiene selectivity increased with a similar amount. The presented methodology can be applied in a straightforward way to other 3‐D reactor designs and can be extended to more complex feedstocks such as naphtha. © 2013 American Institute of Chemical Engineers AIChE J 60: 794–808, 2014     

前置烧焦式催化裂化装置稳态模拟:再生器取热器负荷对过程的影响

应用本文作者课题组开发的前置烧焦式催化裂化装置过程模拟平台,对某工业装置进行现场条件下的稳态模拟,并完成全装置模型的校正及验证。在此基础上,模拟分析了再生器取热器负荷对该装置操作产生的影响。模拟结果显示,改变再生器取热器的负荷,能够有效调节两器热量平衡,在确保工艺范围不超限的前提下提高装置剂油比,原料油转化率提高,装置产品分布得到有效调节,但是使得密相床再生器密相区床层温度降低,从而影响再生器的再生效果,不利于提升管进口再生催化剂初始活性的提高。     

CFD analysis of flow pattern and heat transfer in direct contact steam condensation

Direct contact steam condensation used in steam jet injectors, and direct contact feed water heaters, has been studied using CFD simulations. Fairly good agreement has been obtained, with the available experimental data of plume length and the profiles of axial and radial temperature. Further, critical analyses have been carried out for all the published semi-empirical models and correlations. In addition, CFD analysis has been extended to examine the role of nozzle diameter and geometry, on heat transfer phenomenon which governs the direct contact steam condensation phenomenon. A new hydrodynamic model has been formulated which estimates the interfacial area available for condensation. A rational correlation has been developed for the estimation of interfacial area, expressed in terms of Nusselt number (Nu), Reynolds number (Re), Prandtl number (Pr) and ratio of viscosity of steam and water.     

气升式内环流反应器流场及传质特性数值模拟

采用双流体模型和气液二相流体动力学理论建立了气升式环流反应器流体流动的数学模型,在此模型的基础上利用溶质渗透理论和各向同性湍流理论建立了局部液相体积传质系数数学模型。采用计算流体软件F luent对气升式环流反应器内气液二相流动状况进行模拟,模拟结果较好地解释了气升式环流反应器内的流动行为及传质特性。模拟计算值与文献实验值的吻合说明了模型的可行性。     

Effect of particle shape on fluid flow and heat transfer for methane steam reforming reactions in a packed bed

Numerical simulations of a cylindrical packed bed with tube to particle diameter ratio of 1.4, containing 10 particles, were performed to understand the effect of particle shape on pressure drop, heat transfer and reaction performance. Six particle shapes namely, cylinder as the reference, trilobe and daisy having external shaping, hollow cylinder, cylcut, and 7‐hole cylinder including internal voids were chosen. Methane steam reforming reactions were considered for the heat transfer and reaction performance evaluation. The present study showed that the external shaping of particles offered lower pressure drop, but lower values of effectiveness factor indicating strong diffusion limitations. The internally shaped particles offered increased surface area, led to higher effectiveness factor and allowed to overcome the diffusion limitations. The effective heat transfer and effectiveness factor of the trilobe‐shaped particle per unit pressure drop was found to be the best among the particle shapes considered in the present work. © 2016 American Institute of Chemical Engineers AIChE J, 63: 366–377, 2017     

电化学反应器流动和传质特性的仿真研究

提出了一种基于双面BDD电极的平行板结构的电化学反应器,它通过阳极和阴极交替排列引导污水多通道蜿蜒流动,实现了三维传质的增强。利用OpenFOAM分析了四阳极结构反应器的流动特性和传质特性,结果表明该结构的反应器在低入口流体雷诺数下传质系数低,分布不均,当入口雷诺数大于500时流体出现不稳定,传质增强。     

固定床错流流动和传热耦合的数值模拟

引入对流项和黏性项的流动模型和传热模型耦合,对内置传热管构件的固定床错流传热进行了研究,获得了床层温度分布,并与文献实验数据进行比较:计算值与文献实验值基本一致,表明模型能正确描述床层的温度分布。然后在不同的三角形和正方形排列方式情况下,研究了床层内在多圆管管间及周边的温度分布,结果表明:错流传热与流体流动方向密切相关,床层被加热的区域在加热管二侧,管壁附近和床层加热管前方,这些区域出现了较宽的被加热区;采用三角形排列方式,与采用正方形排列方式相比,强化了床层内的对流传热,使得床层内温度分布更趋于均匀。     

CFD simulation of transverse vibration effects on radial temperature profile and thermal entrance length in laminar flow

Radial heat transfer in laminar pipe flow is characterized by a wide temperature distribution over the pipe cross‐section. We use a validated Computational Fluid Dynamics (CFD) model to show that the superimposition of a transverse vibration on the steady laminar flow of a Newtonian fluid moving in a pipe with an isothermal wall, generates considerable chaotic flow and radial mixing which result in a large enhancement in wall heat transfer as well as a considerably more uniform radial temperature field. Transverse vibration also causes the temperature profile to develop very rapidly in the axial direction reducing the thermal entrance length by a large factor. These effects are dependent on vibration amplitude and frequency, and fluid viscosity. © 2010 American Institute of Chemical Engineers AIChE J, 2011     

Numerical simulation on flow, combustion and heat transfer of ethylene cracking furnaces

With the study object of an 100kt/a SL-II ethylene cracking furnace, this paper used Computational Fluid Dynamics (CFD) method to carry out coupled simulation studies on the flow, combustion, radiative heat transfer and thermal cracking reaction processes in the cracking furnace. The standard k–ε two-equation model was applied to turbulence simulation. The finite-rate/eddy-dissipation model was used for modeling of non-premixed combustion of the bottom burners and premixed combustion of the sidewall burners. The Discrete Ordinates (DO) model was applied to the simulation of radiative heat transfer of furnace. The simulation results show the detailed information about velocity, temperature and concentration fields in the furnace and heat flux distribution on the reactor tubes skin. This work will provide a theoretical basis for the optimization of the geometrical structure and operational parameters of the cracking furnace.     

LES–Lagrangian‐particles‐simulation of turbulent reactive flows at high Sc number using approximate deconvolution model

Large eddy simulation (LES) with the approximate deconvolution model is combined with Lagrangian particles simulation (LPS) for simulating turbulent reactive flows at high Schmidt numbers Sc. The LES is used to simulate velocity and nonreactive scalar while reactive scalars are simulated by the LPS using the mixing volume model for molecular diffusion. The LES–LPS is applied to turbulent scalar mixing layers with a second‐order isothermal irreversible reaction at Sc = 600. The mixing volume model is implemented with the IEM, Curl's, and modified Curl's mixing schemes. The mixing volume model provides a correct decay rate of nonreactive scalar variance at high Sc independently of the number of particles. The statistics in the LES–LPS with the IEM or modified Curl's mixing scheme agree well with the experiments for both moderately‐fast and rapid reactions. However, the LPS with the Curl's mixing scheme overpredicts the effects of the rapid reaction. © 2016 American Institute of Chemical Engineers AIChE J, 62: 2912–2922, 2016     

炼油减压精馏塔汽提工艺传质过程模拟与分析

为了揭示减压塔汽提工艺的传质过程特性,进而改进汽提操作,采用改进的减压精馏过程模拟方法和传质计算方法,分析了炼油常减压装置的汽提工艺的传质特点。在深化对于汽提工艺的理解基础上论证了采用填料汽提塔(段)的必要性以及设计、分析的基本方法。计算分析结果表明侧线汽提塔内填料分离性能保持恒定,汽提塔的分离效率与减压塔对应分离段接近,所以在设计和操作中应给予汽提塔(段)充分重视。减压塔底汽提段的工艺和水力学特点与侧线汽提塔相同。塔底汽提蒸汽质量流率应小于减压塔进料质量流率1%,否则将导致减压塔整体分离效率降低。     

Characteristics of the boundary layer with hydrogen combustion with variations of thermal conditions on a permeable wall

The paper describes a numerical study of the influence of thermal and boundary conditions on the structure of laminar and turbulent diffusion flames in the cases with hydrogen injection through a porous surface and with hydrogen combustion in an air flow. Two types of boundary conditions are compared: with a given constant temperature T _w = const over the length of the porous surface for arbitrary intensities of fuel injection and with a constant temperature T′ = const of the fuel injected through the porous wall. The first case occurs during combustion of a liquid fuel whose burning surface temperature remains unchanged. Injection of gaseous fuel usually leads to the second case with T′ = const. Despite significant differences in velocity and temperature profiles, the skin friction coefficients in the laminar flow are close to each other in these two regimes. In the turbulent regime, the effect of the thermal boundary conditions on friction and heat transfer is more pronounced. Moreover, the heat flux to the wall as a function of fuel-injection intensity is characterized by a clearly expressed maximum. A principal difference of the effect of combustion on friction and heat transfer in the laminar and turbulent flow regimes is demonstrated. __________ Translated from Fizika Goreniya i Vzryva, Vol. 45, No. 3, pp. 3–11, May–June, 2009.     

CFD simulation of flow pattern and plume dimensions in submerged condensation and reactive gas jets into a liquid bath

Submerged gas jets into a liquid bath are widely used in metal processing and thermal processes. These systems are classified as (a) condensation jet and (b) reaction jet systems. This paper presents the CFD simulation of both the types of jets. The CFD model considers phase change, gas-liquid and gas-gas reactions and the accompanied rates of mass transfer. Mass transfer coefficient was estimated using small eddy model where the value of mass transfer coefficient is calculated based on the local values of turbulent kinetic energy (k) and the dissipation rate (ε). A good agreement with the available experimental data of plume length validates the CFD model. The CFD simulations have also been compared with the available experimental data on velocity and temperature profiles which shows excellent agreement. A comparison between the condensation and the reaction jets has been presented in terms of plume dimensions, flow and temperature patterns. The relative predictions of the present model and the rational correlations have been presented for the estimation of plume length for both the types of jet systems.     

Analysis of flow pattern and heat transfer in direct contact condensation

In direct contact condensation (DCC) phenomenon, whenever steam (vapor) is injected with very high velocity in sub-cooled water, the momentum and the energy of the steam is transferred to the surrounding liquid, leading to generation of flow pattern, turbulent in nature. The turbulent flow pattern enhances the heat transfer coefficient at the interface of steam jet and water (vapor-liquid interface) as well as at the immersed surfaces (solid-liquid interface). The flow and the temperature pattern in DCC system have been measured using hot film anemometer (HFA). The values of heat transfer coefficient at the vapor-liquid and solid-liquid interface were estimated using the CCA module of the HFA. The nozzle diameter (d₀) was varied in the range of 1-2 mm and the nozzle upstream pressure in the range of 0.3-0.35 MPa (corresponding velocities in the nozzle were 286-304 m/s). The time series of velocity and temperature at the interface were analyzed to get the rates of surface renewal. A comparison has been presented between the predicted and the experimental values of heat transfer coefficient.     

Preliminary design and simulation of a microstructured reactor for production of synthesis gas by steam methane reforming

The present study considers the potentials of the well-known production of syngas by steam methane reforming (SMR), by operation within microstructured reactors. The model of a microchannel reactor is developed, including very fast kinetic reaction rates on the coated catalytic walls of the reactor module. By varying the characteristic dimensions of the channels, and considering technical constraints on the design and operating conditions, the results demonstrate that the SMR reactor can be drastically miniaturized while maintaining its productivity without any additional pressure drop. Furthermore, by reducing the channel characteristic dimensions, it is possible to suppress heat and mass-transfer limitations enabling SMR reactor operation at thermodynamic equilibrium. A fast method for preliminary design of microstructured heat-exchanger reactors is developed, that enables to identify the optimal channels number and heat power needed to reach process specifications.     

Pinched tube flow reactor: Hydrodynamics and suitability for exothermic multiphase reactions

A novel tubular flow reactor where a straight tube is modified by pinching it periodically at a fixed pitch and at different angles is presented. Pinched tubes (straight tube as well as helical coils) with different pitch and angles between successive pinching are studied. This work reports a detailed hydrodynamic study involving single and two‐phase flow. Mixing experiments showed that having an angle of 90° between successive pinchs achieves the shortest mixing length when compared to lower angles. Pressure recovery along with sequence of high and low shear zones and change of flow direction imposed better mixing. Residence time distribution studies showed that higher number of pinch sections decreases the extent of dispersion, yet it deviates from plug flow. The performance is evaluated by carrying a homogeneous and two‐phase aromatic nitration and also liquid‐liquid extraction. Pinched tube presents an economical option as a flow reactor for conducting exothermic reactions. © 2016 American Institute of Chemical Engineers AIChE J, 63: 358–365, 2017