Application of GC-SAFT EOS to polycyclic aromatic hydrocarbons Export

@article{citeulike:1499226, abstract = {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.}, author = {Huynh, Dong N. and Benamira, M. and Passarello and Tobaly, Pascal and de Hemptinne}, citeulike-article-id = {1499226}, citeulike-linkout-0 = {http://dx.doi.org/10.1016/j.fluid.2007.02.023}, citeulike-linkout-1 = {http://www.sciencedirect.com/science/article/B6TG2-4N3WYJF-4/2/ec394340b37187f17dbb0eb20c051a29}, comment = {article dong polycycliques}, day = {15}, doi = {10.1016/j.fluid.2007.02.023}, journal = {Fluid Phase Equilibria}, keywords = {gc-saft, pah, polycycliques}, month = {June}, number = {1-2}, pages = {60--66}, posted-at = {2007-07-26 17:44:05}, priority = {3}, title = {Application of GC-SAFT EOS to polycyclic aromatic hydrocarbons}, url = {http://dx.doi.org/10.1016/j.fluid.2007.02.023}, volume = {254}, year = {2007} }

TY - JOUR ID - citeulike:1499226 L3 - citeulike-article-id:1499226 N2 - 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. IS - 1-2 JF - Fluid Phase Equilibria EP - 66 TI - Application of GC-SAFT EOS to polycyclic aromatic hydrocarbons VL - 254 SP - 60 KW - gc-saft KW - pah KW - polycycliques N1 - article dong polycycliques AU - Huynh, Dong AU - Benamira, M AU - Passarello AU - Tobaly, Pascal AU - de Hemptinne PY - 2007/06/15/ UR - http://dx.doi.org/10.1016/j.fluid.2007.02.023 ER -