TY - JOUR
T1 - Modeling fluid phase equilibria of carbon dioxide-methanol binary system
AU - Yu, Cheng Hsiu
AU - Lin, Yu Jeng
AU - Wong, David Shan Hill
AU - Bruno, Juan Carles
AU - Chen, Chau Chyun
N1 - Publisher Copyright:
© 2020
PY - 2021/2/1
Y1 - 2021/2/1
N2 - Accurate fluid phase equilibria modeling of carbon dioxide-methanol binary system is essential for numerous industrial applications. Prior modeling studies were limited in scope in terms of temperature and pressure ranges. In this study, the phase equilibria behavior of the binary system is modeled with cubic equations-of-state (EoS) including Peng–Robinson (PR) and Soave–Redlich–Kwong with various mixing rules, Predictive Soave–Redlich–Kwong, Cubic Plus Association, and Perturbed-Chain Statistical Associating Fluid Theory. Among them, the classical PR EoS and its variants yield the overall best results in representing the phase behavior at temperature above 330 K. However, PR incorrectly predicts two liquid phases when the CO2 mole fraction exceeds ~ 0.4 at temperature lower than 330 K. Raoult's law with the classical nonrandom two-liquid excess Gibbs energy model is recommended for the low temperature conditions.
AB - Accurate fluid phase equilibria modeling of carbon dioxide-methanol binary system is essential for numerous industrial applications. Prior modeling studies were limited in scope in terms of temperature and pressure ranges. In this study, the phase equilibria behavior of the binary system is modeled with cubic equations-of-state (EoS) including Peng–Robinson (PR) and Soave–Redlich–Kwong with various mixing rules, Predictive Soave–Redlich–Kwong, Cubic Plus Association, and Perturbed-Chain Statistical Associating Fluid Theory. Among them, the classical PR EoS and its variants yield the overall best results in representing the phase behavior at temperature above 330 K. However, PR incorrectly predicts two liquid phases when the CO2 mole fraction exceeds ~ 0.4 at temperature lower than 330 K. Raoult's law with the classical nonrandom two-liquid excess Gibbs energy model is recommended for the low temperature conditions.
KW - Carbon dioxide
KW - Fluid phase equilibria
KW - Methanol
KW - Nonrandom two-liquid excess Gibbs energy model
KW - Peng–Robinson equation of state
UR - http://www.scopus.com/inward/record.url?scp=85093692685&partnerID=8YFLogxK
U2 - 10.1016/j.fluid.2020.112866
DO - 10.1016/j.fluid.2020.112866
M3 - Article
AN - SCOPUS:85093692685
SN - 0378-3812
VL - 529
JO - Fluid Phase Equilibria
JF - Fluid Phase Equilibria
M1 - 112866
ER -