TY - JOUR
T1 - Modeling of aqueous electrolyte solutions with perturbed-chain statistical associated fluid theory
AU - Cameretti, Luca F.
AU - Sadowski, Gabriele
AU - Mollerup, Jørgen
PY - 2005
Y1 - 2005
N2 - The vapor pressures and liquid densities of single-salt electrolyte solutions containing NaCl, LiCl, KCl, NaBr, LiBr, KBr, NaI, LiI, KI, Li2SO4, Na2SO4, and K2SO4 were modeled with an equation of state based on perturbed-chain statistical associated fluid theory (PC-SAFT). The PC-SAFT model was extended to charged compounds using a Debye-Huckel term for the electrostatic interactions. Two model parameters for each ion were fitted to experimental pVT and vapor-pressure data. The model is able to excellently reproduce the experimental data up to high salt molalities and even to predict vapor pressures in mixed-salt solutions.
AB - The vapor pressures and liquid densities of single-salt electrolyte solutions containing NaCl, LiCl, KCl, NaBr, LiBr, KBr, NaI, LiI, KI, Li2SO4, Na2SO4, and K2SO4 were modeled with an equation of state based on perturbed-chain statistical associated fluid theory (PC-SAFT). The PC-SAFT model was extended to charged compounds using a Debye-Huckel term for the electrostatic interactions. Two model parameters for each ion were fitted to experimental pVT and vapor-pressure data. The model is able to excellently reproduce the experimental data up to high salt molalities and even to predict vapor pressures in mixed-salt solutions.
U2 - 10.1021/ie0488142
DO - 10.1021/ie0488142
M3 - Journal article
SN - 0888-5885
VL - 44
SP - 3355
EP - 3362
JO - Industrial & Engineering Chemistry Research
JF - Industrial & Engineering Chemistry Research
IS - 9
ER -