Phase equilibria calculations with a modified SAFT equation of state. 2. Binary mixtures of n-alkanes, 1-alkanols, and water
Phase equilibria calculations with a modified SAFT equation of state. 2. Binary mixtures of n-alkanes, 1-alkanols, and water
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使用修改后的 SAFT 状态方程进行相平衡计算。
DOI：
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发表时间：
1996
期刊：
影响因子：
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通讯作者：
K. Gubbins
中科院分区：
文献类型：
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作者：
T. Kraska;K. Gubbins
Lennard-Jones统计缔合流体理论（LJ-SAFT）适用于含有一种自缔合物质和一种非缔合物质的二元混合物。本文研究的二元体系为正构烷烃/正构烷烃、正构烷烃/正构烷烃和水/正构烷烃混合物。对于需要偶极-偶极项的情况，还研究了感应的影响。LJ-SAFT的结果比SAFT更符合实验数据。这一改进是由于硬球参考系统被LJ参考系统所取代。
The Lennard-Jones−statistical association fluid theory (LJ−SAFT) is applied to binary mixtures containing one self-associating and one nonassociating substance. The binary systems studied here are n-alkane/n-alkane, 1-alkanol/n-alkane, and water/n-alkane mixtures. For cases where the dipole−dipole term is needed, the influence of induction is also investigated. The results with LJ−SAFT exhibit better agreement with experimental data than SAFT. This improvement is due to the exchange of the hard-sphere reference system by the LJ reference system.