Arash Pakravesh, Amir H. Mohammadi, Dominique Richon
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The performance of the PρT-SAFT, PρT-PC-SAFT, PC-SAFT, and CPA EoSs was evaluated for predicting key thermodynamic properties, including density, thermal expansion coefficient, isothermal compressibility, isobaric heat capacity, speed of sound, and saturated vapor pressure, for pure MEG, DEG, TEG, and PEG 400. Among the models, the PρT-SAFT demonstrated superior accuracy in modeling their properties. Subsequently, the volumetric properties and vapor–liquid equilibrium data of binary mixtures of MEG, DEG, and TEG were predicted using the same EoSs, without incorporating any binary interaction parameters. Under these conditions, the PρT-SAFT achieved the highest accuracy. Furthermore, predictions of the volumetric properties for the ternary mixture of MEG, DEG, and TEG also indicated that the PρT-SAFT outperformed the other models. The overall average absolute deviation percentages for the PρT-SAFT, PρT-PC-SAFT, PC-SAFT, and CPA EoSs across all examined thermodynamic properties and systems were 7.0, 8.2, 22.2, and 30.2, respectively, confirming the robustness of the PρT-SAFT.</p></div>","PeriodicalId":598,"journal":{"name":"International Journal of Thermophysics","volume":"46 2","pages":""},"PeriodicalIF":2.5000,"publicationDate":"2025-01-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s10765-025-03505-9.pdf","citationCount":"0","resultStr":"{\"title\":\"Performance Evaluation of PρT-SAFT, PρT-PC-SAFT, PC-SAFT, and CPA Equations of State for Predicting Density, Thermal Expansion Coefficient, Isothermal Compressibility, Isobaric Heat Capacity, Speed of Sound, and Saturated Vapor Pressure of Three Pure Ethylene Glycols and Their Mixtures\",\"authors\":\"Arash Pakravesh, Amir H. 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引用次数: 0
摘要
乙二醇是一组用途广泛的工业溶剂,在各个领域都有广泛的应用。这些化合物的精确热力学建模对于提高它们的利用率和优化工业过程至关重要。在现有的先进模型中,统计关联流体理论(SAFT)型状态方程(EoS)因其在捕捉复杂流体的热力学行为方面的有效性而脱颖而出。本研究采用PρT-SAFT、PρT-PC-SAFT、PC-SAFT和CPA eos对纯单乙二醇(MEG)、二甘醇(DEG)、三甘醇(TEG)及其混合物进行建模。此外,这些模型对聚乙二醇400 (PEG 400)的预测能力进行了严格评估。对纯MEG、DEG、TEG和peg400的PρT-SAFT、PρT-PC-SAFT、PC-SAFT和CPA eos的性能进行了评估,以预测关键的热力学性质,包括密度、热膨胀系数、等温压缩率、等压热容、声速和饱和蒸汽压。其中,prρ t - saft模型在模拟其性质方面表现出较好的准确性。随后,在不纳入任何二元相互作用参数的情况下,使用相同的eos预测了MEG、DEG和TEG二元混合物的体积特性和汽液平衡数据。在这些条件下,prρ t - saft达到了最高的精度。此外,对MEG、DEG和TEG三元混合物的体积性质的预测也表明,prρ t - saft优于其他模型。PρT-SAFT、PρT-PC-SAFT、PC-SAFT和CPA eos在所有检查的热力学性质和系统中的总体平均绝对偏差百分比分别为7.0、8.2、22.2和30.2,证实了PρT-SAFT的稳健性。
Performance Evaluation of PρT-SAFT, PρT-PC-SAFT, PC-SAFT, and CPA Equations of State for Predicting Density, Thermal Expansion Coefficient, Isothermal Compressibility, Isobaric Heat Capacity, Speed of Sound, and Saturated Vapor Pressure of Three Pure Ethylene Glycols and Their Mixtures
Ethylene glycols are a group of versatile industrial solvents with broad applications across various sectors. Accurate thermodynamic modeling of these compounds is essential for enhancing their utilization and optimizing industrial processes. Among the advanced models available, the Statistical Associating Fluid Theory (SAFT) type equation of state (EoS) stands out for its effectiveness in capturing the thermodynamic behavior of complex fluids. This study employs the PρT-SAFT, PρT-PC-SAFT, PC-SAFT, and CPA EoSs to model pure monoethylene glycol (MEG), diethylene glycol (DEG), triethylene glycol (TEG), and their mixtures. Furthermore, the predictive capabilities of these models are critically evaluated for polyethylene glycol 400 (PEG 400). The performance of the PρT-SAFT, PρT-PC-SAFT, PC-SAFT, and CPA EoSs was evaluated for predicting key thermodynamic properties, including density, thermal expansion coefficient, isothermal compressibility, isobaric heat capacity, speed of sound, and saturated vapor pressure, for pure MEG, DEG, TEG, and PEG 400. Among the models, the PρT-SAFT demonstrated superior accuracy in modeling their properties. Subsequently, the volumetric properties and vapor–liquid equilibrium data of binary mixtures of MEG, DEG, and TEG were predicted using the same EoSs, without incorporating any binary interaction parameters. Under these conditions, the PρT-SAFT achieved the highest accuracy. Furthermore, predictions of the volumetric properties for the ternary mixture of MEG, DEG, and TEG also indicated that the PρT-SAFT outperformed the other models. The overall average absolute deviation percentages for the PρT-SAFT, PρT-PC-SAFT, PC-SAFT, and CPA EoSs across all examined thermodynamic properties and systems were 7.0, 8.2, 22.2, and 30.2, respectively, confirming the robustness of the PρT-SAFT.
期刊介绍:
International Journal of Thermophysics serves as an international medium for the publication of papers in thermophysics, assisting both generators and users of thermophysical properties data. This distinguished journal publishes both experimental and theoretical papers on thermophysical properties of matter in the liquid, gaseous, and solid states (including soft matter, biofluids, and nano- and bio-materials), on instrumentation and techniques leading to their measurement, and on computer studies of model and related systems. Studies in all ranges of temperature, pressure, wavelength, and other relevant variables are included.