BGL炉煤气化过程建模和模拟

建立了BGL气化炉的三维非稳态煤气化模型,模型考虑煤炭颗粒的收缩过程,应用收缩核模型集成煤热解模型、气相湍流模型、气固流动模型、气固异相反应模型、气相均相反应模型、能量守恒方程以及相间传热模型等。该模型充分考虑了气化炉内部三维空间的温度和组成分布,通过煤热解段模型化学计量参数优化,得到CO/H₂摩尔比在1.59左右,符合BGL炉热解段运行机制;然后对BGL炉气化段过程进行三维非稳态模拟,模拟出口气组成(CO,H₂,CO₂,CH₄,H₂O,O₂)与文献结果对比,误差均小于4%。证明了BGL模型的准确性。基于该模型,本文对煤气化过程的主要参数进行影响分析。分析结果表明：煤气化效率随汽氧比的增加而提高,当汽氧比确定在1~1.3之间可以满足工艺要求及生产的需要,适合本文研究所用褐煤的特点;氧煤比增加会降低煤气化效率,但合成气中有效气的含量呈现出先增大后减小的趋势,当氧煤比在0.17左右时有效气含量达到峰值;随着煤粒直径的增加,BGL炉内的温度呈降低趋势,最高温度从2536.77 K降到了2047.81 K;同时,煤粒直径增加会减小CO、H₂和CH₄的生成量,并增大CO₂的生成量。     

Modeling a pilot-scale fluidized bed coal gasification reactor

A steady-state model has been developed to simulate the North Carolina State University pilot-scale fluidized bed coal gasification reactor. The model involves instantaneous devolatilization of coal at the top of the gasifier (freeboard region) and char combustion and gasification in the fluidized bed. A two-phase (emulsion-dilute gas) representation of the fluidized bed incorporates the phenomena of jetting, bubbling, slugging, and mass and heat transfer between phases, and enables the prediction of individual species flow rates and temperature profiles within the bed. The model has been successfully used to simulate the gasification of a devolatilized Western Kentucky bituminous coal and a New Mexico subbituminous coal and to predict effects of various operating parameters on key gasifier performance variables.     

水煤浆水冷壁废锅气化过程的模拟研究

采用Aspen Plus流程模拟软件模拟了水煤浆水冷壁废锅气化过程,并将模拟结果与工业运行数据对比,验证了模型准确性。在此基础上,分析了气化压力和水煤浆浓度对气化温度、有效气产量、合成气组成、氧煤比、比氧耗和比煤耗等气化参数的影响。结果表明,气化压力对气化过程基本没有影响,可根据需要选择适宜压力;当保持氧气流量恒定时,随水煤浆浓度增大,有效气含量增加,气化温度升高,即提高水煤浆浓度易导致气化炉飞温,因此进一步研究了在前述模拟条件不变,且保持气化温度恒定时,水煤浆浓度变化对气化参数的影响。结果表明,随水煤浆浓度增大,氧煤比降低,有效气含量增加,比氧耗、比煤耗降低,因此在气化炉不超温的情况下,应尽量提高水煤浆的浓度,以降低系统能耗。     

Simulation study on the gasification process of Ningdong coal with iron-based oxygen carrier

Chemical looping gasification (CLG) of Ningdong coal by using Fe₂O₃ as the oxygen carriers (OCs) was studied, and the gasification characteristics were obtained. A computation fluid dynamics (CFD) model based on Eulerian‐-Lagrangian multiphase framework was established, and a numerical simulation the coal chemical looping gasification processes in fuel reactor (FR) was investigated. In addition, the heterogeneous reactions, homogeneous reactions and Fe₂O₃ oxygen carriers' reduction reactions were considered in the gasification process. The characteristics of gas flow and gasification in the FR were analyzed and it was found that the experiment results were consistent with the simulation values. The results show that when the O/C mole rate was 0.5:1, the gasification temperature was 900 ℃ and the water vapor volume flow rate was 2.2 ml·min^-1, the mole fraction of syngas reached a maximum value of the experimental result and simulation value were 71.5% and 70.2%, respectively. When the O/C mole rate was 0.5:1, the gasification temperature was 900 ℃, and the water vapor volume flow was 1.8 ml·min^-1; the gasification efficiency reached the maximum value was 62.2%, and the maximum carbon conversion rate was 84.0%.     

新型两段式气化炉的数值分析

对一种新型两段式水煤浆气化炉的气化效率进行了数值计算和分析。模型中将水煤浆的气化过程分为水分蒸发、煤热解、气相反应和气固异相反应等子模型。气相反应速率需同时考虑湍流混合和化学反应机理,气固反应的速率采用未反应缩芯模型。运用可实现k-ε模型描述气相湍流流动,随机轨道模型追踪水煤浆颗粒的运动。以中试多喷嘴水煤浆气化炉为建模基础,验证了该水煤浆气化模型的准确性。模拟计算得出新型两段炉的有效气组分含量为85.91%,冷煤气效率为76.42%。     

Numerical simulation of the bubbling fluidized bed coal gasification by the kinetic theory of granular flow (KTGF)

A new numerical model based on the two-fluid model (TFM) including the kinetic theory of granular flow (KTGF) and complicated reactions has been developed to simulate coal gasification in a bubbling fluidized bed gasifier (BFBG). The collision between particles is described by KTGF. The coal gasification rates are determined by combining Arrhenius rate and diffusion rate for heterogeneous reactions or turbulent mixing rate for homogeneous reactions. The flow behaviors of gas and solid phases in the bed and freeboard can be predicted, which are not easy to be measured through the experiments. The calculated exit values of gas composition are agreed well with the experimental data. The relationship between gas composition profiles with the height of gasifier and the distributions of temperature, gas and solid velocity and solid volume fraction were discussed.     

气流床煤气化的Aspen Plus建模：平衡模型和动力学模型

基于Aspen Plus软件建立了GE气流床煤气化的平衡模型和动力学模型,计算了气化的煤气组成和碳转化率。模型分为热解、气化和气液分离三个阶段。其中,气化阶段又分为初步气化和气化重整,从而获得气化产物在恒定温度下的分布。平衡模型的气化阶段使用了吉布斯反应器RGIBBS,基于吉布斯自由能最小化原理对体系内的气化产物进行计算;动力学模型的气化阶段使用了全混流反应器RCSTR,基于煤气化反应的动力学机理对体系内的气化产物进行计算。模拟值与GE气化炉的实际工程数据进行了对比,结果表明,平衡模型可在一定程度上反映气化结果的变化趋势,但预测结果的准确性有所欠缺,而基于气化反应机理建立的动力学模型能很好地预测GE气化炉的气化结果。对动力学模型中的全混流反应器进行反应时间设定,可以对GE气化炉生产提供一定的指导,结果表明：反应停留时间为3.5s时就可以达到很好的气化效果。温度是影响气化反应速率及产物分布的重要因素,利用煤气化的动力学模型模拟了气化温度对气体组成及碳转化率的影响,结果表明：随着气化温度的升高,CO含量逐渐增加,H₂含量基本不变,CO₂含量逐渐减小,碳转化率逐渐升高。     

射流预氧化流化床气化炉中黏结性煤的反应特性

针对现有流化床气化技术难以处理黏结性、高含灰洗中煤的问题, 中国科学院过程工程研究所开发了可处理黏结性碎煤的射流预氧化流化床气化技术, 该技术利用含氧气体将煤颗粒快速喷射送入预氧化区内破除其黏结性, 形成的半焦进入气化区内发生气化反应, 进而实现对黏结性煤的利用。本工作采用小型流化床射流预氧化反应装置研究较强黏结性煤预氧化破黏后的产物分布、半焦结构与活性变化, 并考察气化操作条件(温度、当量空气系数、水煤比等)对半焦气化行为的影响。结果表明:当预氧化区温度为950℃、当量空气系数为0.13时, 黏结性煤生成半焦的孔结构和气化活性较好;当半焦气化区温度为1000℃、当量空气系数为0.17、水蒸气与煤质量比为0.09时, 生成燃气的品质较好, 而且生成焦油中的轻质组分最多, 有利于焦油被进一步脱除。研究结果可为射流预氧化气化技术的设计放大提供基础数据。     

盈德清华炉水煤浆气化工艺的影响因素研究

以过程模拟软件为工具,通过合理的简化与假设,建立了以氧气为气化剂的水煤浆气流床煤气化的研究模型,模拟计算了盈德清华炉的水煤浆气化过程,分析了煤中碳含量、灰分含量、水煤浆质量分数、操作温度、水冷壁副产蒸汽量等因素对比煤耗、比氧耗、合成气产量、合成气中各气体组分含量的影响。模型计算结果与生产实际运行数据对比表明,该模型能较好地反映运行工厂的实际生产情况。利用经过生产实际运行数据修正的研究模型,可研究煤质组成、煤浆质量分数、操作温度、水冷壁副产蒸汽量等因素对主要气化工艺指标的影响。     

运用Gibbs自由能最小化方法模拟气流床煤气化炉

基于 Aspen Plus工业系统流程模拟软件 ,运用 Gibbs自由能最小化方法建立了气流床煤气化炉的模型 .研究了气化炉的主要操作参数 (即水煤浆浓度、氧煤比、碳转化率和气化温度 )对气化结果的影响 .对模拟结果进行了分析 ,发现模型基本正确 ,可应用于一些反应机理复杂的气化工艺的化学和热力学平衡计算 .模拟结果表明 ,氧煤比和水煤浆浓度是影响气化炉出口煤气组成的主要因素 ,气化炉温度随着氧煤比的增加而增加 ,也随着水煤浆浓度的增加而增加 .结果还表明 ,氧煤比对气化结果的影响比水煤浆浓度的影响更为显著     

新疆淖毛湖煤中钠在CO2气化过程的迁移行为

针对新疆淖毛湖煤矿煤中Na含量高,在气化过程中可能会导致气化炉内壁腐蚀、沾污等问题,本文通过开展实验室气化实验和Factsage热力学模拟实验,研究了淖毛湖煤中钠在CO₂气化过程时的迁移行为。通过热重实验研究了淖毛湖煤的气化反应特性;利用扫描电镜-能谱（SEM-EDS）、X射线衍射（XRD）及电感耦合等离子体-原子发射光谱（ICP-OES）等手段,对淖毛湖煤在800～1100℃下CO₂气化条件下得到的残渣进行了分析表征,研究了不同温度下得到的残渣形貌以及残渣中Na的赋存形态、含量变化等;同时,结合化学热力学平衡计算方法,研究了CO₂气化过程中淖毛湖煤中Na在气相中的分布情况,分析了气化过程中Na的析出特性。结果表明,在一定的反应时间内,随着气化温度的逐渐升高, 在温度为900~1100℃下淖毛湖煤中Na的析出量逐渐增加。在煤气中钠元素主要以NaCl（g）、NaOH（g）和Na（g）的形态存在,这部分形态的Na随着煤气排出而未富集于残渣中。800℃时残渣中主要成分为CaCO₃,当气化温度高于900℃时,残渣开始熔融,且随温度的升高残渣中共熔物增加。当温度在800～1100℃时,淖毛湖煤中Na主要以硅铝酸盐的形式存在。     

Numerical simulation of coal gasification in entrained flow coal gasifier

This paper presents modeling of a coal gasification reaction, and prediction of gasification performance for an entrained flow coal gasifier. The purposes of this study are to develop an evaluation technique for design and performance optimization of coal gasifiers using a numerical simulation technique, and to confirm the validity of the model. The coal gasification model suggested in this paper is composed of a pyrolysis model, char gasification model, and gas phase reaction model. A numerical simulation with the coal gasification model is performed on the CRIEPI 2 tons/day (T/D) research scale coal gasifier. Influence of the air ratio on gasification performance, such as a per pass carbon conversion efficiency, amount of product char, a heating value of the product gas, and cold gas efficiency is presented with regard to the 2 T/D gasifier. Gas temperature distribution and product gas composition are also presented. A comparison between the calculation and experimental data shows that most features of the gasification performance were identified accurately by the numerical simulation, confirming the validity of the current model.     

Dynamic modeling and simulation of reaction,slag behavior,and heat transfer to water-cooling wall of shell entrained-flow gasifier

A mathematical model is developed to simulate a pilot Shell entrained-flow coal gasifier. Submodels of specific structures of the gasifier are established to simulate the complicated gasification process. The model includes the total energy conservation equation and mass conservation equations for the gas components, solid flow, and gas flow. It simulates the influence of the gasifier structure and dimensions and can calculate the effects of changing almost every important operation parameter, e.g., the syngas composition, gasification temperature, carbon conversion ratio, walllayer temperature, and slag mass flow rate. The model can predict the syngas composition under a limited residence time condition. Furthermore, it considers the heat transfer coefficient of each layer of the water wall to calculate its heat loss and temperature. Thus, the model also reflects the influence of performance parameters of the gasifier’s water wall. The slag mass flow rate on the wall is calculated using a slag submodel.     

Thermophoresis effects on gas-particle phases flow behaviors in entrained flow coal gasifier using Eulerian model

A numerical model based on the Eulerian–Eulerian two-fluid approach is used to simulate the gasification of coal char inside an entrained flow gasifier. In this model, effects of thermophoresis of coal char particles are thoroughly investigated. The thermophoresis is due to the gas temperature gradient caused by absorpted heat of coal char gasification. This work, firstly, calculates the gas temperature gradient and thermophoretic force at1100 °C,1200 °C,1300 °C and 1400 °C wall temperatures. Then, the changes of particle volume fraction and velocity in the gasifier are studied in the simulation with thermophoresis or not. The results indicate that considering the particle thermophoresis has some effects on the calculation of particle volume fraction in the gasifier, especially at wall temperature of 1400 °C, and the maximum particle volume fraction variance ratio reaches up to 1.38% on wall surface of the gasifier. These effects are mainly caused by large gas temperature gradient along the radial direction of the gasifier. For the particle velocity, the changes are small but can be observable along radial direction of the gasifier, which has good agreement with the distributions of radial gas temperature gradient and thermophoretic force. These changes above may have certain effects on gasification reaction rates in this Eulerian model. So the change of gasification reaction rates in the simulation with thermophoresis or not is studied finally.     

GSP气化炉内多相湍流反应流动模拟研究

采用涡耗散概念(EDC)模型,对某化工厂的GSP气化炉内多相反应流场进行了数值模拟研究.计算中采用Realizable k-ε湍流模型对雷诺平均后的N-S方程进行封闭;采用离散相随机轨道模型来模拟气化炉内煤颗粒的弥散运动;采用P1模型对燃烧的辐射传热进行模拟.计算结果表明:气化炉内为强旋射流流场,颗粒在气化炉顶部回流区...     

简化PDF模型对Texaco气化炉的三维数值模拟

应用商业CFD软件Fluent建立气化过程热态模型,对某化肥厂Texaco水煤浆气化炉进行了三维数值模拟。计算中采用简化PDF模型描述炉内的化学反应,将水煤浆看作燃料流,氧气看作氧化剂流;根据对冷态流场的计算,采用六面体结构网格为主的网格划分;Realizable k-ε湍流模型封闭湍流方程;dpm模型考察气体和颗粒相耦合;随机轨道模型对颗粒相进行追踪,P-1辐射模型计算炉内辐射特性;同时编制UDF函数模拟焦炭和O₂、H₂O、CO₂以及H₂的颗粒异相反应。通过与工业数据的对比,证明该模型能够真实反应气化炉内的物理特性,同时表明工业炉内的同相反应基本达到化学平衡。     

IGCC示范工程煤气化炉的数值模拟

采用Aspen Plus流程模拟软件对某拟建的IGCC示范工程的德士古煤气化炉进行数值模拟,通过考虑碳的不完全转换对计算流程进行了改进,并运用CPD模型预测煤热裂解的产物分布.研究了煤气化炉的重要操作参数(即水煤浆浓度、氧煤比、气化压力和气化温度)对气化结果的影响.在计算区间内,发现高浓度水煤浆浓度范围内,随浓度的增加,煤气的主要成分(H2+CO)的总含量增加.气化温度增大到1400℃左右时,煤气的主要成分随气化温度的进一步增加会趋于一个恒定值.     

二次氧量对分级气化炉气化特性的影响

分级给氧气流床气化炉具有碳转化率高、炉内混合过程强烈、喷嘴附近温度较低等优点。本文采用CFD数值模拟的方法研究了二次氧量变化对气化炉运行特性的影响,分析比较了不同二次给氧量下相交射流火焰特性的变化,及相交射流对煤气化炉炉内整体混合过程、煤气化特性的影响。发现当二次给氧量下降时,受炉内回流流场的影响,二次火焰明显随回流发生偏斜,壁面温度升高。当二次给氧量小于总给氧量的8%时,其射流动量不足以影响主射流产生的宏观流场。     

典型气流床煤气化炉气化过程的建模

利用Aspen Plus、基于热力学平衡模型对GSP煤粉气化炉、GE水煤浆气化炉及四喷嘴对置式水煤浆气化炉的气化过程建模。根据煤颗粒热转化的历程,将煤气化过程划分为热解、挥发分燃烧、半焦裂解及气化反应4个阶段,利用David Merrick模型计算热解过程,采用Beath模型校正压力对热解过程的影响,选用化学计量反应器模拟挥发分燃烧反应,编制Fortran程序计算半焦裂解产物收率,最后基于Gibbs自由能最小化方法计算气化反应。结果表明,采用建立的气流床气化过程模型模拟工业气化过程的结果与生产数据基本吻合,对GSP煤粉气化炉、GE水煤浆气化炉及四喷嘴对置式水煤浆气化炉等3种气化炉有效气成分（CO+H₂）体积分数模拟结果的误差均不超过2%,建立模型的可靠性得到验证。     

钠盐对准东煤CO2吸附能力及气化特性的影响

为探究不同化学形态的钠盐对准东煤CO₂吸附能力及气化特性影响,对酸洗后的准东煤采用溶液浸渍法负载钠盐。利用热重分析仪研究了4种负载钠盐的煤样和酸洗煤样的气化反应性和CO₂吸附能力,并对5种煤样的反应动力学模型进行了分析和计算。结果表明：负载钠盐可显著降低煤样起始气化温度和气化所需活化能,提高气化反应活性指数和吸附CO₂的能力。实验选用的4种钠盐对准东煤CO₂气化反应催化作用强弱依次是：Na₂CO₃> NaHCO₃> Na₂SO₄> NaCl。煤样的CO₂强化学吸附能力可反映出煤样的CO₂气化反应活性。随机孔模型可以较好地描述酸洗煤的CO₂气化过程,而修正的随机孔模型则能更好地反映负载钠盐煤样的CO₂气化过程。