气流床煤气化的Aspen Plus建模：平衡模型和动力学模型

doi:10.16085/j.issn.1000-6613.2020-1764

摘要/Abstract

摘要：

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。

关键词: Aspen Plus, GE气化炉, 平衡模型, 动力学模型, 反应停留时间, 温度

Abstract:

The equilibrium model and kinetic model of GE gasifier were established based on Aspen Plus, and the gas composition and carbon conversion were calculated. The model is divided into three stages: pyrolysis, gasification and gas-liquid separation. Among them, the gasification stage is divided into preliminary gasification and gasification reforming, so as to obtain the distribution of gasification products at a constant temperature. The Gibbs reactor RGIBBS is used in the gasification stage of the equilibrium model, and the gasification products in the system are calculated based on the Gibbs free energy minimization principle. The perfect mixing flow reactor RCSTR is used in the gasification stage of the kinetic model, and the gasification products in the system are calculated based on the kinetic mechanism of the coal gasification reaction. The model results are compared with the actual engineering data of GE gasifier, and the results show that the equilibrium model can reflect the change trend of gasification results to some extent, but the accuracy of the prediction results is not enough, while the kinetic model based on gasification reaction mechanism can well predict the gasification results of GE gasifier. The reaction time is set for the perfect mixing flow reactor in the kinetic model, which can provide some guidance for the production of GE gasifier. The results show that a good gasification effect can be achieved when the reaction residence time is 3.5s. Temperature is an important factor affecting the gasification reaction rate and product distribution. The influence of gasification temperature on gas composition and carbon conversion is simulated by the kinetic model of coal gasification. The results show that with the increase of gasification temperature, the CO content increases, the H₂ content is basically the same, the CO₂ content decreases, and the carbon conversion increases.

Key words: Aspen Plus, GE gasifier, equilibrium model, kinetic model, reaction residence time, temperature

中图分类号:

TQ546

郑志行, 张家元, 李谦, 周浩宇. 气流床煤气化的Aspen Plus建模：平衡模型和动力学模型[J]. 化工进展, 2021, 40(8): 4165-4172.

ZHENG Zhihang, ZHANG Jiayuan, LI Qian, ZHOU Haoyu. Aspen Plus modeling of the entrained bed coal gasification: equilibrium model and kinetic model[J]. Chemical Industry and Engineering Progress, 2021, 40(8): 4165-4172.

图/表 14

图1 GE气化炉的结构

表1 气化过程中发生的主要反应

反应类型	反应式	反应数
气固反应
碳燃烧反应	C+（λ+2）/（2λ+2）O₂ $→$ λ/（1+λ）CO+1/（1+λ）CO₂	R1
水蒸气转化反应	C+H₂O $→$ CO+H₂	R2
歧化反应	C+CO₂ $→$ 2CO	R3
甲烷化反应	C+H₂ $→$ CH₄	R4
气相反应
氢气燃烧反应	H₂+（1/2）O₂ $→$ H₂O	R5
水煤气变换反应	CO+H₂O $→$ CO₂+H₂	R6
甲烷燃烧反应	CH₄+2O₂ $→$ CO₂+2H₂O	R7

表1 气化过程中发生的主要反应

反应类型	反应式	反应数
气固反应
碳燃烧反应	C+（λ+2）/（2λ+2）O₂ $→$ λ/（1+λ）CO+1/（1+λ）CO₂	R1
水蒸气转化反应	C+H₂O $→$ CO+H₂	R2
歧化反应	C+CO₂ $→$ 2CO	R3
甲烷化反应	C+H₂ $→$ CH₄	R4
气相反应
氢气燃烧反应	H₂+（1/2）O₂ $→$ H₂O	R5
水煤气变换反应	CO+H₂O $→$ CO₂+H₂	R6
甲烷燃烧反应	CH₄+2O₂ $→$ CO₂+2H₂O	R7

表2 气相反应的ki和Ei值[18]

气相反应	k_i	E_i
氢气燃烧反应	8.83×10⁸	9.976×10⁴
水煤气变换反应	2.978×10¹²	3.69×10⁵
甲烷燃烧反应	3.552×10¹⁴	9.304×10⁶

图2 GE气化炉的平衡模型

图3 GE气化炉的动力学模型

表3 国外六种煤种的元素分析和气化炉操作条件

序号	煤种	元素分析（干燥基）/%							煤粉进料速率/g·s^-1	H₂O/煤粉 /g·g^-1	O₂/煤粉 /g·g^-1	入炉温度/K
序号	煤种	C	H	N	S	Cl	O	灰分	煤粉进料速率/g·s^-1	H₂O/煤粉 /g·g^-1	O₂/煤粉 /g·g^-1	煤	H₂O	O₂
1	Illinois No.6	74.05	6.25	0.71	1.77	0.37	1.32	15.53	76.66	0.24	0.87	505	697	298
2	Wyodak	78.37	5.79	0.92	0.07	0.08	3.7	11.05	86	0.32	0.9	414	672	298
3	SRC-Ⅱ	64.9	3.65	1.25	2.96	—	1.7	25.54	126.11	0.3	0.7	505	697	298
4	Exxon DSP	70.74	4.67	1.18	2.74	—	3.95	16.72	126.11	0.5	0.79	505	697	298
5	Western	74.56	5.31	0.99	0.46	—	11.47	7.2	186.78	0.52	0.91	400	400	600
6	Eastern	72.72	5.03	1.4	2.99	—	9.13	8.73	133	0.79	0.87	400	400	600

表4 国内两种煤种的成分分析和气化炉操作条件

煤粉进料速率

/kg·h^-1

H₂O/煤粉

/g·g^-1

O₂/煤粉

/g·g^-1

压力

/MPa

文献［23］

现场用煤

图4 模型预测值和文献值的气体组成对比

图5 模型预测值和文献值的碳转化率对比

表5 Illinois No.6煤种的11种操作工况

编号	煤粉进料速率/g·s^-1	O₂·煤粉^-1/g·g^-1	H₂O·煤粉^-1/g·g^-1
Run 1	76.66	0.866	0.241
Run 2	81.18	0.768	0.318
Run 3	82.2	0.813	0.309
Run 4	79.46	0.807	0.323
Run 5	71.64	0.826	0.352
Run 6	87.73	0.774	0.291
Run 7	90.97	0.776	0.282
Run 8	92.13	0.797	0.247
Run 9	87.79	0.787	0.268
Run 10	129.77	0.835	0.276
Run 11	132.79	0.848	0.279

图6 Illinois No.6煤种的气体组成对比

图7 Illinois No.6煤种的碳转化率对比

图8 反应停留时间对气化组成及碳转化率的影响

图9 气化温度对气化组成及碳转化率的影响

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