基于吉布斯自由能最小化法煤气化反应器模型开发及应用

doi:10.16085/j.issn.1000-6613.2023-1493

摘要/Abstract

摘要：

本研究开发的煤气化专有模块集成了煤气化的热解过程与气化过程模型。根据热解模型计算得到煤热解后的组成，基于吉布斯自由能最小化的原理构建平衡模型，采用Rand法将有平衡约束的最优化问题转换为无约束的最优化问题，简化煤气化过程模型的求解方法，得到煤气化反应产物的组成，并以煤气化工业数据为例，检验开发的煤气化模型的准确性。基于开发的煤气化反应器模型，考察了煤浆浓度和氧煤比对气化产品组成的影响。结果表明，当煤浆体积分数为52.5%~65.5%时，有效气体体积分数由71.6%增加至81.2%；当氧煤比由491增大到560时，有效气体体积分数增大至最大值77.75%后又逐渐减小。有效气体体积分数随着煤浆浓度增大而增大，随着氧煤比浓度增大呈先增大后减小趋势。开发的煤气化专有模块对煤气化过程的模拟结果准确可靠，具有重要的实用价值。

关键词: 煤气化, Rand法, 吉布斯自由能, 反应器

Abstract:

In the present study, the coal gasification module was explored by integrating the models of coal pyrolysis process and gasification process. The composition of coal pyrolysis was calculated according to the pyrolysis model. The equilibrium model was constructed with the principle of Gibbs free energy minimization. The model of coal gasification process was solved by converting the optimization problem with equilibrium constraint into an unconstrained optimization problem with the Rand method. The accuracy of the explored coal gasification model was examined with industrial data. The effects of coal slurry concentration and oxygen-coal ratio on the composition of gasification products were studied with the new coal gasification reactor module. The results indicated that the volume fraction of effective gas increased from 71.6% to 81.2% with the increase of coal slurry concentration from 52.5% to 65.5%, and it increased to 77.75% and then decreased with the oxygen-coal ratio increased from 491 to 560. The effective gas volume fraction increased with the increase of coal slurry concentration, and the fraction increased to the maximum value and then decreased with the increase of oxygen coal ratio concentration. The developed coal gasification module could accurately and reliably simulate the coal gasification process, and it had an important practical value.

Key words: coal gasification, Rand method, Gibbs free energy, reactors

中图分类号:

TQ546

赵梦磊, 赵军, 鲁鸿滨, 陶少辉, 赵文英, 项曙光. 基于吉布斯自由能最小化法煤气化反应器模型开发及应用[J]. 化工进展, 2024, 43(9): 4793-4799.

ZHAO Menglei, ZHAO Jun, LU Hongbin, TAO Shaohui, ZHAO Wenying, XIANG Shuguang. Development and application of coal gasification reactor model based on Gibbs free energy minimization method[J]. Chemical Industry and Engineering Progress, 2024, 43(9): 4793-4799.

图/表 9

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工业分析（质量分数，干基）/%					元素分析（质量分数，干基）/%
固定碳	挥发分	灰分	湿含量		碳	氢	氧	氮	硫
61.64	31.57	6.79	16		74.05	4.99	10.37	1.01	0.64

工业分析（质量分数，干基）/%					元素分析（质量分数，干基）/%
固定碳	挥发分	灰分	湿含量		碳	氢	氧	氮	硫
61.64	31.57	6.79	16		74.05	4.99	10.37	1.01	0.64

项目	H₂体积分数/%	CO体积分数/%	CO₂体积分数/%	CH₄含量/mg·L^-1	H₂S体积分数/%	(CO+H₂)体积分数/%
模拟值	37.14	40.57	21.52	435	0.19	77.72
实际值	37.79	41.47	20.29	398	0.17	79.26
绝对偏差	-0.65	-0.9	1.23	37	0.02	-1.54
相对偏差/%	1.72	2.17	6.06	9.30	11.76	1.94

项目	H₂体积分数/%	CO体积分数/%	CO₂体积分数/%	CH₄含量/mg·L^-1	H₂S体积分数/%	(CO+H₂)体积分数/%
模拟值	37.14	40.57	21.52	435	0.19	77.72
实际值	37.79	41.47	20.29	398	0.17	79.26
绝对偏差	-0.65	-0.9	1.23	37	0.02	-1.54
相对偏差/%	1.72	2.17	6.06	9.30	11.76	1.94

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