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Some Observations Regarding the SAFT-VR-Mie Equation of State

机译:关于SAFT-VR-Mie状态方程的一些观察

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This study demonstrates that the advanced theoretical basis and the consequential numerical complexity donot always guarantee the success of EOS models in predicting the experimental thermodynamic property data. Althoughone of the best versions of SAFT, namely SAFT-VR-Mie might have doubtless advantages in predicting the data of nonsphericalmolecules, once again it is shown that there is a price to pay for the excessive model's complexity. In particular,the present study reveals a previously unnoticed kind of numerical pitfalls, yet generated by the chain term of the SAFTVR-Mie EOS. A possible way of avoiding the numerical pitfall under consideration is proposed.
机译:这项研究表明,先进的理论基础和相应的数值复杂性并不总能保证EOS模型在预测实验热力学性质数据方面的成功。尽管SAFT的最佳版本之一,即SAFT-VR-Mie在预测非球形分子的数据方面无疑具有优势,但再次证明,为模型的复杂性付出代价是有代价的。特别是,本研究揭示了SAFTVR-Mie EOS的链条术语仍未引起人们注意的一种数字陷阱。提出了一种避免考虑中的数值陷阱的可能方法。

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