Simultaneous prediction of phase behaviour and second derivative properties with a group contribution approach (SAFT-γ Mie)

被引：0

作者：

Papaioannou, Vasileios ^{[1
]}

Lafitte, Thomas ^{[1
]}

Adjiman, Claire S. ^{[1
]}

Galindo, Amparo ^{[1
]}

Jackson, George ^{[1
]}

机构：

[1] Univ London Imperial Coll Sci Technol & Med, Dept Chem Engn, Ctr Proc Syst Engn, London SW7 2AZ, England

来源：

21ST EUROPEAN SYMPOSIUM ON COMPUTER AIDED PROCESS ENGINEERING | 2011年 / 29卷

关键词：

group contribution; predictive models; phase equilibrium; speed of sound; GROUP-CONTRIBUTION EQUATION; STATE; EOS;

D O I：

暂无

中图分类号：

TP39 [计算机的应用];

学科分类号：

081203 ; 0835 ;

摘要：

We present a new group contribution approach, the SAFT-gamma Mie method based on an intermolecular potential of variable attractive and repulsive range. The method employs a more realistic intermolecular potential compared to the previously proposed SAFT-gamma method (SAFT-gamma SW), where interactions are modelled based on the square-well (SW) potential. SAFT-gamma Mie is shown to lead to a marked improvement in the prediction of the phase behaviour and the second-order derivative properties of the chemical family of the n-alkanes.

引用

页码：1593 / 1597

页数：5

共 11 条

[1] Development of an universal group contribution equation of state I. Prediction of liquid densities for pure compounds with a volume translated Peng-Robinson equation of state [J].