化工进展2024，Vol.43Issue(9)：4817-4823,7.DOI:10.16085/j.issn.1000-6613.2023-1392
基于物理信息神经网络的甲烷无氧芳构化反应的正反问题
Forward and reverse problems of methane dehydro-aromatization based on physics-informed neural network
摘要
Abstract
Research on solving the forward and reverse problems of chemical reaction kinetics modeling can help to gain a deeper understanding of reaction mechanisms and reduce experimental costs.This study took the one-dimensional packed bed methane dehydro-aromatization(MDA)as an example and used a physics-informed neural network to couple the chemical reaction mechanism equations into the loss function.In this way,a solution framework for reaction kinetics modeling and parameter inversion was constructed.Firstly,the optimal neural network hyperparameters were determined by solving the forward problem.The results showed that the constructed model had good predictive performance in solving the MDA reaction kinetics model,with training error and extrapolation error L2 of 0.19%and 0.95%,respectively.Based on this,the rate constants of MDA were inverted using labeled data under 0,0.1%,and 0.3%Gaussian noise,and the predicted values obtained from training had a relative error within 0.5%of the true values,demonstrating the ability of physics-informed learning to perform inversion for unknown kinetic parameters under low-quality data.关键词
甲烷无氧芳构化/物理信息神经网络/反应动力学模型/反问题Key words
methane dehydro-aromatization/physics-informed neural network/reaction kinetic model/inverse problem分类
化学化工引用本文复制引用
李依梦,陈运全,何畅,张冰剑,陈清林..基于物理信息神经网络的甲烷无氧芳构化反应的正反问题[J].化工进展,2024,43(9):4817-4823,7.基金项目
广东省自然科学基金(2022A1515010479) （2022A1515010479）
国家自然科学基金(22078373). （22078373）
