{"title":"利用半经验方法和神经网络模拟液体润滑剂的平衡和非平衡热物理性质","authors":"Sayed Mostafa Hosseini, Taleb Zarei, Mariano Pierantozzi","doi":"10.1515/jnet-2023-0062","DOIUrl":null,"url":null,"abstract":"This study explored the capability of semi-empirical and neural network approaches for correlating and predicting some equilibrium and non-equilibrium thermophysical properties of liquid lubricants. The equilibrium properties, including the densities and several thermodynamic coefficients for 12 liquid lubricants, were correlated and predicted through a perturbed hard-chain equation of state (PHC EoS) by an attractive term of Yukawa tail. The molecular parameters of PHC EoS were obtained by correlating them with 935 data points for the densities and isothermal compressibilities of studied systems in the 278–353 K range and pressure up to 70 MPa with the average absolute relative deviations (AARDs) of 0.36 % and 5.25 %, respectively. Then, that EoS was employed to predict the densities of other literature sources (with an AARD of 0.81 %) along with several thermodynamic coefficients, including isobaric expansivities (with an AARD of 12.92 %), thermal pressure coefficients (with the AARD of 12.93 %), and internal pressure (with the AARD of 13.67 %), for which the reference values were obtained from Tait-type equations and available in literature. Apart from the equilibrium mentioned above properties, the PHC EoS was combined with a rough hard-sphere-chain (RHSC) model to correlate and predict the 548 data points for the viscosities of 7 selected liquefied lubricants in 283–353 K range and pressures up to 100 MPa with the AARD of 11.85 %. The accuracy of the results from the RHSC-based model has also been compared with an empirical <jats:italic>PηT</jats:italic> equation of Tammann-Tait type and an artificial neural network (ANN), both of which were developed in this work. The ANN of one hidden layer and 13 neurons was trained using the back-propagation algorithm. 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引用次数: 0
摘要
本研究探索了半经验和神经网络方法在关联和预测液体润滑剂的一些平衡和非平衡热物理性质方面的能力。通过扰动硬链状态方程(PHC EoS),利用汤川尾的吸引力项对 12 种液体润滑剂的平衡特性(包括密度和若干热力学系数)进行了关联和预测。PHC EoS 的分子参数是通过与所研究体系在 278-353 K 范围内的密度和等温压缩性的 935 个数据点进行关联而获得的,这些数据点的平均绝对相对偏差(AARDs)分别为 0.36 % 和 5.25 %。然后,利用该 EoS 预测了其他文献来源的密度(平均绝对相对偏差为 0.81%)以及几个热力学系数,包括等压膨胀率(平均绝对相对偏差为 12.92%)、热压系数(平均绝对相对偏差为 12.93%)和内压(平均绝对相对偏差为 13.67%),这些系数的参考值均来自泰特方程,并可从文献中获得。除上述平衡特性外,PHC EoS 还与粗糙硬球链(RHSC)模型相结合,对 7 种选定液化润滑剂在 283-353 K 范围内的粘度和高达 100 MPa 的压力的 548 个数据点进行了关联和预测,AARD 为 11.85 %。基于 RHSC 模型的结果的准确性还与 Tammann-Tait 型经验 PηT 方程和人工神经网络(ANN)进行了比较,这两个模型都是在这项工作中开发的。采用反向传播算法训练了由一个隐层和 13 个神经元组成的人工神经网络。这种方法取得的结果非常理想,证明了人工神经网络方法在预测润滑油粘度方面的潜力,整个数据集的 AARD 值达到了 0.81%。
Modeling equilibrium and non-equilibrium thermophysical properties of liquid lubricants using semi-empirical approaches and neural network
This study explored the capability of semi-empirical and neural network approaches for correlating and predicting some equilibrium and non-equilibrium thermophysical properties of liquid lubricants. The equilibrium properties, including the densities and several thermodynamic coefficients for 12 liquid lubricants, were correlated and predicted through a perturbed hard-chain equation of state (PHC EoS) by an attractive term of Yukawa tail. The molecular parameters of PHC EoS were obtained by correlating them with 935 data points for the densities and isothermal compressibilities of studied systems in the 278–353 K range and pressure up to 70 MPa with the average absolute relative deviations (AARDs) of 0.36 % and 5.25 %, respectively. Then, that EoS was employed to predict the densities of other literature sources (with an AARD of 0.81 %) along with several thermodynamic coefficients, including isobaric expansivities (with an AARD of 12.92 %), thermal pressure coefficients (with the AARD of 12.93 %), and internal pressure (with the AARD of 13.67 %), for which the reference values were obtained from Tait-type equations and available in literature. Apart from the equilibrium mentioned above properties, the PHC EoS was combined with a rough hard-sphere-chain (RHSC) model to correlate and predict the 548 data points for the viscosities of 7 selected liquefied lubricants in 283–353 K range and pressures up to 100 MPa with the AARD of 11.85 %. The accuracy of the results from the RHSC-based model has also been compared with an empirical PηT equation of Tammann-Tait type and an artificial neural network (ANN), both of which were developed in this work. The ANN of one hidden layer and 13 neurons was trained using the back-propagation algorithm. The results acquired from this approach were very promising and demonstrated the potential of the ANN approach for predicting the viscosity of lubricants, reaching an AARD of 0.81 % for the entire dataset.
期刊介绍:
The Journal of Non-Equilibrium Thermodynamics serves as an international publication organ for new ideas, insights and results on non-equilibrium phenomena in science, engineering and related natural systems. The central aim of the journal is to provide a bridge between science and engineering and to promote scientific exchange on a) newly observed non-equilibrium phenomena, b) analytic or numeric modeling for their interpretation, c) vanguard methods to describe non-equilibrium phenomena.
Contributions should – among others – present novel approaches to analyzing, modeling and optimizing processes of engineering relevance such as transport processes of mass, momentum and energy, separation of fluid phases, reproduction of living cells, or energy conversion. The journal is particularly interested in contributions which add to the basic understanding of non-equilibrium phenomena in science and engineering, with systems of interest ranging from the macro- to the nano-level.
The Journal of Non-Equilibrium Thermodynamics has recently expanded its scope to place new emphasis on theoretical and experimental investigations of non-equilibrium phenomena in thermophysical, chemical, biochemical and abstract model systems of engineering relevance. We are therefore pleased to invite submissions which present newly observed non-equilibrium phenomena, analytic or fuzzy models for their interpretation, or new methods for their description.