Application of GC-SAFT EOS to polycyclic aromatic hydrocarbons
- 作者：Dong Nguyen Huynh ; M. Benamira ; J.-Philippe Passarello ; Pascal Tobaly ; J.-Charles de Hemptinne
- 关键词：Equation of state ; Group contribution method ; SAFT-PC ; SAFT-VR ; Polyaromatics
- 刊名：Fluid Phase Equilibria
- 出版年：2007
- 期刊代码：32_03783812
- 类别：ce
- 出版时间：15 June 2007
- 卷：254
- 期：1-2
- 页码：60-66
- 文件大小：737 K
摘要
The group contribution method for pure compound parameters proposed by Tamouza et al. [Tamouza, et al., Fluid Phase Equilibr., 222/223 (2004) 67–76] is extended for the calculation of vapor pressures and saturated liquid volumes of polyaromatic hydrocarbons (PAHs). It has been tested successfully using three versions of SAFT equation of state (EOS): PC-SAFT, VR-SAFT and the original SAFT-EOS slightly modified. An additional quadrupolar contribution to the EOS is found necessary here.
The method is used for prediction of equilibrium properties of PAHs, including branched compounds and mixtures containing such components. In all three cases, similar and encouraging results are obtained. Reasonable computations are obtained on pure alkyl PAHs and on some mixtures that were not included in the regression database.