基于物理信息神经网络的实际气体状态方程预测模型研究

Research on prediction model of real gas Equation of State Based on Physics-Informed Neural Networks

  • 摘要: 气体状态方程在热力学建模和工程应用中具有重要作用,其中Redlich-Kwong-Soave(RKS)和Peng-Robinson(PR)状态方程(EOS)因其使用范围广、参数易得而被广泛采用。然而,在高温高压工况下或处理极性流体(如水蒸气)时,这两种状态方程的预测精度存在明显不足。为提升其在复杂工况下的泛化能力,本文以水蒸气为研究对象,基于物理信息神经网络(physics informed neural networks, PINN)方法,在RKS与PR方程中引入高阶体积项(ρ3),并依据饱和水蒸气的压力、密度、温度(PVT)实验数据以及不同参数需要满足的物理规律,在无量纲单位下优化高阶项系数, 构建基于物理信息神经网络的实际气体状态方程(EOS-PINN)预测模型。数值结果表明EOS-PINN模型提升了水蒸气两相行为的预测精度,相较于原始的RKS和PR状态方程,EOS-PINN模型的对于不同压力下密度的预测精度分别提高了7.775%和4.33%,尤其是在气相区,它们的预测误差分别降低到了0.93%和1.63%。此外,状态方程的定温线图示验证了EOS-PINN模型具有良好的物理一致性。

     

    Abstract: Gas state equations play an important role in thermodynamic modeling and engineering applications. Although cubic state equations such as Redlich Kwong Soave (RKS) and Peng Robinson (PR) are widely used due to their concise form and easily obtainable parameters, their prediction accuracy significantly decreases under under high-temperature and high-pressure conditions or when dealing with polar fluids such as water vapor. To enhance its generalization capability, physics-informed neural network model (PINN) are employed here to develop a state equation correction and optimization model by using water vapor as the working fluid. Specifically, we introduced a high-order volume term (proportional to ρ³) in the RKS and PR equation expressions to enhance their ability to describe complex intermolecular forces. The core of this study involves employing Physics-Informed Neural Networks (PINN) to embed the equation of state (EOS) itself, along with critical point constraints, as physical regularizers within the machine learning framework. By integrating extensive datasets of saturated vapor-liquid properties experimental data, the model's high-order coefficients are optimized through a hybrid data-driven and physics-based approach. This methodology culminates in a novel EOS-PINN predictive model with a robust physical foundation. Compared to the original RKS and PR state equations, the predictive accuracy of the EOS-PINN model has improved by 7.775% and 4.33%, respectively. In particular, their prediction errors were reduced to 0.93% and 1.63% in the gas phase region, respectively. Graphical analyses of the predicted isotherms confirm the model's strict adherence to thermodynamic consistency, notably satisfying Maxwell's equal-area rule. This approach effectively circumvents the physical inconsistencies inherent in purely data-driven models. Consequently, this study establishes a effective paradigm for fusing physical laws with machine learning to advance the development of a new generation of intelligent thermodynamic models.

     

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