TY - JOUR
T1 - Perfluoroalkanes and perfluoroalkylalkane surfactants in solution
T2 - Partial molar volumes in n-octane and hetero-SAFT-VR modelling
AU - Morgado, Pedro
AU - Rodrigues, Hugo
AU - Blas, Felipe J.
AU - McCabe, Clare
AU - Filipe, Eduardo J. M.
N1 - Funding Information:
PM acknowledges funding from Fundação para Ciência e Tecnologia , in the form of a PhD. grant (No. SFRH/BD/39150/2007 ). FJB is grateful for financial support from project numbers FIS2010-14866 of the Spanish DGICYT (Dirección General de Investigación Científica y Técnica) and HP2005-045 of the Spanish MEC (Ministerio de Educación y Ciencia, Programa de Acciones Integradas) , as well as for additional financial support from Universidad de Huelva and Junta de Andalucía . CMC acknowledges funding from the National Science Foundation through grant number CTS-0829062 . EJMF acknowledges funding from the Fundação para Ciência e Tecnologia through grant number POCI/QUI/61850/2004 .
PY - 2011/7/15
Y1 - 2011/7/15
N2 - Partial molar volumes at infinite dilution have been obtained for 3 perfluoroalkylalkanes (PFAA) in n-octane at 298.15. K from experimental apparent molal volumes. The results were interpreted estimating the contributions of the hydrogenated and perfluorinated segments to the partial molar volume. For this reason, partial molar volumes at infinite dilution for 3 perfluoroalkanes (PFA) in n-octane at 298.15. K have also been obtained. The results were further interpreted using the hetero-SAFT-VR equation of state, which models the perfluoroalkylalkanes as heterosegmented di-block chains. The cross interactions, both intra and intermolecular, were characterised using parameters developed in earlier studies for (alkane. +. perfluoroalkane) mixtures: the calculations are thus fully predictive. The theory is able to accurately predict the volumetric behaviour of the solutions of perfluoroalkylalkanes, without fitting to any experimental data.
AB - Partial molar volumes at infinite dilution have been obtained for 3 perfluoroalkylalkanes (PFAA) in n-octane at 298.15. K from experimental apparent molal volumes. The results were interpreted estimating the contributions of the hydrogenated and perfluorinated segments to the partial molar volume. For this reason, partial molar volumes at infinite dilution for 3 perfluoroalkanes (PFA) in n-octane at 298.15. K have also been obtained. The results were further interpreted using the hetero-SAFT-VR equation of state, which models the perfluoroalkylalkanes as heterosegmented di-block chains. The cross interactions, both intra and intermolecular, were characterised using parameters developed in earlier studies for (alkane. +. perfluoroalkane) mixtures: the calculations are thus fully predictive. The theory is able to accurately predict the volumetric behaviour of the solutions of perfluoroalkylalkanes, without fitting to any experimental data.
KW - Hetero-SAFT-VR
KW - Perfluoroalkanes
KW - Perfluoroalkylalkanes
KW - Semifluorinated alkanes
UR - http://www.scopus.com/inward/record.url?scp=79957647653&partnerID=8YFLogxK
U2 - 10.1016/j.fluid.2011.02.020
DO - 10.1016/j.fluid.2011.02.020
M3 - Article
AN - SCOPUS:79957647653
SN - 0378-3812
VL - 306
SP - 76
EP - 81
JO - Fluid Phase Equilibria
JF - Fluid Phase Equilibria
IS - 1
ER -