基于机器学习的CO_(2)催化加氢制航空煤油筒式反应器数学模拟分析与优化  

Mathematical simulation analysis and optimization of cylinder reactor for CO_(2) catalytic hydrogenation to jet fuel based on machine learning

作　　者：黄成 刘操 黄磊 崔灵瑞 马宏方[1,2] 曹发海[1,2] HUANG Cheng;LIU Cao;HUANG Lei;CUI Lingrui;MA Hongfang;CAO Fahai(School of Chemical Engineering,East China University of Science and Technology,Shanghai 200237,China;Large Industrial Reactor Engineering Research Center of the Ministry of Education,School of Chemical Engineering,East China University of Science and Technology,Shanghai 200237,China)

机构地区：[1]华东理工大学化工学院,上海200237 [2]华东理工大学化工学院大型工业反应器工程教育部工程研究中心,上海200237

出　　处：《低碳化学与化工》2024年第7期120-128,共9页Low-Carbon Chemistry and Chemical Engineering

摘　　要：借助Fe基催化剂,CO_(2)通过加氢反应可成功转化为高附加值的航空煤油,具有很好的工业应用潜力。目前缺少准确适宜的CO_(2)加氢合成航空煤油的反应器模型,因此亟需对其反应模型进行构建,为相关工艺的工业化提供参考。通过机器学习探究实验条件和关键组分CO和CO_(2)物质的量分数关系,构建了关键组分CO和CO_(2)预测模型;基于Anderson-Schulz-Flory分布规律,构建了碳链增长模型,进一步构建了产物分布模型;基于催化床层物料衡算、热量衡算和压降计算,建立了筒式固定床反应器的一维拟均相模型;通过模拟一定工艺条件得到了CO_(2)加氢合成航空煤油的反应结果,并对工艺条件进行了模拟优化。模拟结果表明,反应器进口温度升高、空速增大,CO_(2)转化率降低,航空煤油集总组分C_(11)H_(24)时空产率增加;操作压力增大,CO_(2)转化率增加,C_(11)H_(24)时空产率在反应压力为2.0 MPa时最高;饱和沸腾水温度升高,CO_(2)转化率和C_(11)H_(24)时空产率增加。最佳CO_(2)加氢制航空煤油反应条件:反应器进口温度为275℃、进口压力为2.0 MPa、空速为4000 h-1和饱和沸腾水温度为294℃。此时CO_(2)转化率为21.95%,C_(11)H_(24)时空产率为12.14g/(L·h),床层压降为0.20MPa。With Fe-based catalyst,CO_(2) can be successfully converted into high value-added jet fuel via hydrogenation,showing great potential of industrial application.There is a lack of accurate and appropriate reactor model for CO_(2) hydrogenation to jet fuel,therefore it is urgent to construct reaction model and provide reference for the industrialization of related processes.The relationship between experimental conditions and mole fraction of key components CO and CO_(2) was explored through machine learning,and the prediction model of the key components CO and CO_(2) was constructed.Based on the Anderson-Schulz-Flory distribution,the carbon chain growth model was established,and the product distribution model was further constructed.Moreover,based on the calculation results of material balance,heat balance and pressure drop,homogeneous one-dimensional model of cylindrical fixed-bed reactors was established.The results of CO_(2) hydrogenation to jet fuel were obtained by simulating operation conditions,and the operation conditions were optimized.The simulation results show that CO_(2) conversion rate decreases and space time yield of jet fuel lumped component C_(11)H_(24) increases with the increase of inlet temperature and space velocity.CO_(2) conversion rate increases with the increase of operating pressure.The operating pressure of maximum space time yield of C_(11)H_(24) is 2.0 MPa.CO_(2) conversion rate and space time yield of C_(11)H_(24) increase with temperature of saturated boiling water increasing.The optimum reaction conditions are inlet temperature of 275℃,inlet pressure of 2.0 MPa,space velocity of 4000 h^(-1) and saturated boiling water temperature of 294℃.Currently,the CO_(2) conversion rate is 21.95%,the space time yield of C_(11)H_(24) is 12.14 g/(L·h),and the pressure drop is 0.20 MPa.

关 键 词：CO_(2)加氢 航空煤油 机器学习 筒式固定床反应器 反应器模拟 

分 类 号：TQ018[化学工程]