基于机理与数据混合驱动的湿法磷酸生产过程代理建模与优化  

Surrogate modeling and optimization of wet phosphoric acid production process based on mechanism and data hybrid driven

作　　者：曾玉娇 肖炘[1] 杨刚[1] 张意博 郑光明[2] 李防[2] 汪凤玲[2] ZENG Yujiao;XIAO Xin;YANG Gang;ZHANG Yibo;ZHENG Guangming;LI Fang;WANG Fengling(Division of Environment Technology and Engineering,Institute of Process Engineering,Chinese Academy of Sciences,Beijing 100190,China;Hubei Xingfa Chemicals Group Co.,Ltd.,Yichang 443600,Hubei,China)

机构地区：[1]中国科学院过程工程研究所环境技术与工程研究部,北京100190 [2]湖北兴发化工集团股份有限公司,湖北宜昌443600

出　　处：《化工学报》2024年第3期936-944,共9页CIESC Journal

基　　金：国家重点研发计划项目(2019YFC1905805)。

摘　　要：基于Aspen Plus平台,结合Fortran编制的磷矿酸解反应和结晶动力学模型子程序完成了整个半水-二水湿法磷酸工艺流程的严格机理建模,并用工业数据进行了模型的校正;然后采用拟Monte Carlo随机模拟产生高质量样本数据集,并用机器学习算法建立了磷酸生产过程代理模型。结果表明,通过本方法获得的代理模型可实现磷酸生产过程关键参数的准确预测,如案例中随机森林代理模型的预测性能最好,大部分误差控制在2.5%以内,最大不超过10%。基于此代理模型,对生产过程的操作参数进行了优化计算,结果表明在成品磷酸P_(2)O_(5)浓度下限为37%,SO_(4)^(2-)浓度上限为5%的约束条件下,可获得最大磷收率98%,优化效果明显,且满足技术生产指标,可为生产的实时优化操作与设计改造提供方案和数据支持。Based on Aspen Plus platform and combined with the dynamic subroutine of acid decomposition reaction and crystallization kinetics of phosphate rock written by Fortran,the rigorous mechanism modeling of the whole hemi-dihydrate wet phosphoric acid process was completed,and the model was calibrated with industrial data.Quasi-Monte Carlo stochastic simulation was then used to generate a high-quality sample data set,and a machine learning algorithm was used to establish an agent model of the phosphoric acid production process.The results show that the surrogate model obtained by this method can accurately predict the key parameters of phosphoric acid production process.For example,the prediction accuracy of random forest agent model is the best in this case,most of the relative errors are controlled within 2.5%,and the maximum is not more than 10%.Based on this surrogate model,the operating parameters of the production process were optimized.The results showed that under the condition that the lower limit of P_(2)O_(5)concentration in the finished phosphoric acid was 37%,and the upper limit of SO_(4)^(2-)concentration was 5%,the maximum phosphorus yield could be obtained by 98%,and the optimization effect was obvious,and the technical production index was met.It can provide solutions and data support for real-time optimization operation,design and transformation of production.

关 键 词：湿法磷酸 Aspen Plus流程模拟 用户动力学模型 机器学习 代理模型 优化 

分 类 号：TQ126.3[化学工程—无机化工]