Stiff-PINN: Physics-Informed Neural Network for Stiff Chemical Kinetics

被引:164
作者
Ji, Weiqi [3 ]
Qiu, Weilun [1 ]
Shi, Zhiyu [1 ]
Pan, Shaowu [2 ]
Deng, Sili [3 ]
机构
[1] Peking Univ, Coll Engn, Beijing 100871, Peoples R China
[2] Univ Michigan, Dept Aerosp Engn, Ann Arbor, MI 48109 USA
[3] MIT, Dept Mech Engn, Cambridge, MA 02139 USA
关键词
CHEMISTRY; FRAMEWORK;
D O I
10.1021/acs.jpca.1c05102
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
The recently developed physics-informed neural network (PINN) has achieved success in many science and engineering disciplines by encoding physics laws into the loss functions of the neural network such that the network not only conforms to the measurements and initial and boundary conditions but also satisfies the governing equations. This work first investigates the performance of the PINN in solving stiff chemical kinetic problems with governing equations of stiff ordinary differential equations (ODES). The results elucidate the challenges of utilizing the PINN in stiff ODE systems. Consequently, we employ quasi-steady-state assumption (QSSA) to reduce the stiffness of the ODE systems, and the PINN then can be successfully applied to the converted non-/mild-stiff systems. Therefore, the results suggest that stiffness could be the major reason for the failure of the regular PINN in the studied stiff chemical kinetic systems. The developed stiff-PINN approach that utilizes QSSA to enable the PINN to solve stiff chemical kinetics shall open the possibility of applying the PINN to various reaction-diffusion systems involving stiff dynamics.
引用
收藏
页码:8098 / 8106
页数:9
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