TY - JOUR
T1 - Solubility of gases in a hydroformylation solvent
AU - Still, Cecilia
AU - Salmi, Tapio
AU - Mäki-Arvela, Päivi
AU - Eränen, Kari
AU - Murzin, Dmitry Yu.
AU - Lehtonen, Juha
N1 - Copyright:
Copyright 2008 Elsevier B.V., All rights reserved.
PY - 2006/6
Y1 - 2006/6
N2 - The solubility of reactants used in homogeneously catalyzed hydroformylation of alkene was studied in a pressurized, semi-batch autoclave. The solubilities of alkene, carbon monoxide and hydrogen in the 2,2,4-trimethyl-1,3-pentanediol mono(2-methylpropanoate) solvent (NX 795) were determined by precise pressure and weight measurements. The measured solubilities were tested against empirical and theoretical models. Logarithmic empirical models gave a very good fit to experimental solubility data. To obtain nonempirical equations for the gas solubility, thermodynamic models based on activity coefficients and equations of state were used. The activity coefficient models based on regular solution theory (RST) predicted the solubilities well, but the selection of the model is the critical issue. For 1-butene, the best prediction was provided by the Yen and McKetta modification of the RST, whereas for carbon monoxide and hydrogen it was necessary to include a mixing entropy term in the RST. The Soave-Redlich-Kwong equation of state gave a fairly good prediction of the solubilities, but not as good as the RST-based models.
AB - The solubility of reactants used in homogeneously catalyzed hydroformylation of alkene was studied in a pressurized, semi-batch autoclave. The solubilities of alkene, carbon monoxide and hydrogen in the 2,2,4-trimethyl-1,3-pentanediol mono(2-methylpropanoate) solvent (NX 795) were determined by precise pressure and weight measurements. The measured solubilities were tested against empirical and theoretical models. Logarithmic empirical models gave a very good fit to experimental solubility data. To obtain nonempirical equations for the gas solubility, thermodynamic models based on activity coefficients and equations of state were used. The activity coefficient models based on regular solution theory (RST) predicted the solubilities well, but the selection of the model is the critical issue. For 1-butene, the best prediction was provided by the Yen and McKetta modification of the RST, whereas for carbon monoxide and hydrogen it was necessary to include a mixing entropy term in the RST. The Soave-Redlich-Kwong equation of state gave a fairly good prediction of the solubilities, but not as good as the RST-based models.
KW - Alkene
KW - Carbon monoxide
KW - Hydroformylation
KW - Hydrogen
KW - Solubility of gases
KW - Thermodynamic modelling
UR - http://www.scopus.com/inward/record.url?scp=33645512625&partnerID=8YFLogxK
U2 - 10.1016/j.ces.2006.01.012
DO - 10.1016/j.ces.2006.01.012
M3 - Article
AN - SCOPUS:33645512625
SN - 0009-2509
VL - 61
SP - 3698
EP - 3704
JO - Chemical Engineering Science
JF - Chemical Engineering Science
IS - 11
ER -