Vapor pressure and liquid density of fluorinated alcohols:Experimental, simulation and GC-SAFT-VR predictions


Autoria(s): Silva, Gonçalo M. C.; Morgado, Pedro; Haley, Jessica D.; Trejos Montouya, Victor Manuel; McCabe, Clare; Martins, Luís F. G.; Filipe, Eduardo J. M.
Data(s)

10/01/2017

10/01/2017

2016

Resumo

The vapor pressure of four liquid 1H,1H-perfluoroalcohols (CF3(CF2)n(CH2)OH, n ¼ 1, 2, 3, 4), often called odd-fluorotelomer alcohols, was measured as a function of temperature between 278 K and 328 K. Liquid densities were also measured for a temperature range between 278 K and 353 K. Molar enthalpies of vaporization were calculated from the experimental data. The results are compared with data from the literature for other perfluoroalcohols as well as with the equivalent hydrogenated alcohols. The results were modeled and interpreted using molecular dynamics simulations and the GC-SAFT-VR equation of state.

Identificador

Gonçalo M.C. Silva, Pedro Morgado, Jessica D. Haley, Víctor Manuel Trejos Montoya, Clare McCabe, Luís F.G. Martins, Eduardo J.M. Filipe

http://hdl.handle.net/10174/19665

goncalo.silva20@gmail.com

pm.elessar@gmail.com

nd

nd

c.mccabe@vanderbilt.edu

lfgm@uevora.pt

efilipe@tecnico.ulisboa.pt

309

10.1016/j.fluid.2016.06.011

Idioma(s)

eng

Publicador

Elsevier

Direitos

openAccess

Palavras-Chave #Fluorinated alcohols #Vapour pressure #Liquid density #Molecular dynamics
Tipo

article