TY - JOUR
T1 - Calculation of complex phase equilibria of DMF/alkane and acetonitrile/alkane systems using a modified Peng-Robinson EoS and the Huron-Vidal mixing rules
AU - Velásquez J., Jorge A.
AU - Forero G., Luis A.
N1 - Publisher Copyright:
© 2017 Elsevier B.V.
PY - 2017/10
Y1 - 2017/10
N2 - Equilibrium and molar volume data are necessary for simulation, sizing and design of chemical process. Simple generalized models that predict liquid-liquid equilibria in wide temperature and pressure ranges are scarce. A modified Peng-Robinson equation of state with Huron-Vidal-NRTL mixing rules is used to calculate phase equilibria and liquid molar volume data for several DMF/alkane and acetonitrile/alkane systems. These systems show a complex phase behavior. The vapor–liquid, liquid–liquid, vapor–liquid–liquid equilibria and liquid molar volumes of DMF/alkane and acetonitrile/alkane systems with alkanes from C4 to C16 were studied. Linear expressions for the binary interaction parameters as function of alkane RTc/Pc was used to model the experimental data. These expressions were determined only by using experimental liquid–liquid equilibria data of DMF/alkane and acetonitrile/alkane systems. Using those, the modified Peng-Robinson equation of state with Huron-Vidal-NRTL mixing rules offers very satisfying results for the prediction of the phase behavior and liquid molar volume for the studied systems. The equilibrium results are like those obtained with a more intricate model like PCP-SAFT equation of state.
AB - Equilibrium and molar volume data are necessary for simulation, sizing and design of chemical process. Simple generalized models that predict liquid-liquid equilibria in wide temperature and pressure ranges are scarce. A modified Peng-Robinson equation of state with Huron-Vidal-NRTL mixing rules is used to calculate phase equilibria and liquid molar volume data for several DMF/alkane and acetonitrile/alkane systems. These systems show a complex phase behavior. The vapor–liquid, liquid–liquid, vapor–liquid–liquid equilibria and liquid molar volumes of DMF/alkane and acetonitrile/alkane systems with alkanes from C4 to C16 were studied. Linear expressions for the binary interaction parameters as function of alkane RTc/Pc was used to model the experimental data. These expressions were determined only by using experimental liquid–liquid equilibria data of DMF/alkane and acetonitrile/alkane systems. Using those, the modified Peng-Robinson equation of state with Huron-Vidal-NRTL mixing rules offers very satisfying results for the prediction of the phase behavior and liquid molar volume for the studied systems. The equilibrium results are like those obtained with a more intricate model like PCP-SAFT equation of state.
KW - Complex phase equilibria
KW - Huron-Vidal mixing rules
KW - Peng-Robinson EoS
UR - http://www.scopus.com/inward/record.url?scp=85028351308&partnerID=8YFLogxK
U2 - 10.1016/j.molliq.2017.08.063
DO - 10.1016/j.molliq.2017.08.063
M3 - Artículo
AN - SCOPUS:85028351308
SN - 0167-7322
VL - 243
SP - 600
EP - 610
JO - Journal of Molecular Liquids
JF - Journal of Molecular Liquids
ER -