TY - JOUR
T1 - The solubility calculation of methane and acidic gases in associating solvents by a predictive approach using Henry's law together with SRK and CPA equation of states
AU - Mansouri, Elahe
AU - Jalaei Salmani, Hossein
AU - Davoodabadi, Amirhosein
AU - Hernández, Ariel
N1 - Publisher Copyright:
© 2022 Elsevier B.V.
PY - 2022/7/1
Y1 - 2022/7/1
N2 - In this study, the binary interaction parameters (BIPs) between a solute and solvent were calculated by combining Henry's law and an equation of state (EoS) while the obtained BIPs were then applied to predict the solubility of carbon dioxide, hydrogen sulfide, and methane in various associating solvents. Water-CO2, water-H2S, water-CH4, methanol-CO2, methanol-H2S, methanol-CH4, ethanol-CO2, 1,2-propanediol-CO2, and glycerol-CO2 mixtures, were studied by Soave-Redlich-Kwong (SRK) and cubic-plus-association (CPA) EoSs over a wide range of temperature and pressure (a total of 384 data points). Both EoSs were capable of predicting the solubility of gases in studied associating solvents by obtained BIPs at investigated temperatures and pressures; however, CPA EoS has produced relatively more satisfactory results with a general absolute average relative deviation (AARD) of 5.38% compared to SRK EoS with that of 6.21%. This can be atributed to the high potential of CPA EoS in describing associating compounds (water and alcohols). Moreover, there was a linear relationship between obtained BIPs and temperature for some mixtures, while for others a quadratic one was the best.
AB - In this study, the binary interaction parameters (BIPs) between a solute and solvent were calculated by combining Henry's law and an equation of state (EoS) while the obtained BIPs were then applied to predict the solubility of carbon dioxide, hydrogen sulfide, and methane in various associating solvents. Water-CO2, water-H2S, water-CH4, methanol-CO2, methanol-H2S, methanol-CH4, ethanol-CO2, 1,2-propanediol-CO2, and glycerol-CO2 mixtures, were studied by Soave-Redlich-Kwong (SRK) and cubic-plus-association (CPA) EoSs over a wide range of temperature and pressure (a total of 384 data points). Both EoSs were capable of predicting the solubility of gases in studied associating solvents by obtained BIPs at investigated temperatures and pressures; however, CPA EoS has produced relatively more satisfactory results with a general absolute average relative deviation (AARD) of 5.38% compared to SRK EoS with that of 6.21%. This can be atributed to the high potential of CPA EoS in describing associating compounds (water and alcohols). Moreover, there was a linear relationship between obtained BIPs and temperature for some mixtures, while for others a quadratic one was the best.
KW - Acidic gas
KW - Equation of state
KW - Henry's law
KW - Methane
KW - Solubility prediction
UR - http://www.scopus.com/inward/record.url?scp=85127778657&partnerID=8YFLogxK
U2 - 10.1016/j.molliq.2022.119016
DO - 10.1016/j.molliq.2022.119016
M3 - Article
AN - SCOPUS:85127778657
SN - 0167-7322
VL - 357
JO - Journal of Molecular Liquids
JF - Journal of Molecular Liquids
M1 - 119016
ER -