TY - JOUR
T1 - Determination of clathrate hydrates stability conditions and water activity in aqueous solutions containing natural amino acid and its blend with ionic liquid, alcohol, and salt using a thermodynamic approach
AU - Rasoolzadeh, Ali
AU - Bakhtyari, Ali
AU - Mehrabi, Khayyam
AU - Javanmardi, Jafar
AU - Nasrifar, Khashayar
AU - Mohammadi, Amir H.
N1 - Publisher Copyright:
© 2022 Elsevier Ltd
PY - 2022/10/15
Y1 - 2022/10/15
N2 - Owing to the necessity of precise calculations in gas hydrates systems comprised of novel environmentally friendly materials such as natural amino acids (NAAs), as well as their blends with ionic liquids (ILs), alcohols, and salts, the present study reports a new method concerning the water activity computation coupled with the van der Waals-Platteeuw (vdW-P) model. The developed activity model consists of two terms, namely Free-Volume modification of the Flory-Huggins (FVFH) equation taking into account the molecular (short-range) interactions, and the extended Debye-Hückel (EDH) equation considering the ionic (long-range) interactions. The model's performance is then assessed against a comprehensive databank (11 NAAs, 9 blends, 475 data points) collected from open literature and data of 3 gaseous hydrate formers (CH4, CO2, and natural gas). The overall deviation of the determined gas hydrates dissociation temperatures for the whole databank is found to be 0.40 K (0.14%), while the most significant individual deviation does not exceed 1.76%, proving the remarkable performance of the developed calculation procedure. Not only does not the model benefit from parameter regression, but it also offers accurate predictions in the complex systems of the inhibitors’ blends. When NAAs are employed solely (409 data points), the deviations of the model results from real data of gas hydrates dissociation temperatures are 0.39 K. On the other hand, in the presence of NAAs mixtures with ILs, alcohols, and salts (66 data points), which represent highly complex systems, the deviation is 0.41 K.
AB - Owing to the necessity of precise calculations in gas hydrates systems comprised of novel environmentally friendly materials such as natural amino acids (NAAs), as well as their blends with ionic liquids (ILs), alcohols, and salts, the present study reports a new method concerning the water activity computation coupled with the van der Waals-Platteeuw (vdW-P) model. The developed activity model consists of two terms, namely Free-Volume modification of the Flory-Huggins (FVFH) equation taking into account the molecular (short-range) interactions, and the extended Debye-Hückel (EDH) equation considering the ionic (long-range) interactions. The model's performance is then assessed against a comprehensive databank (11 NAAs, 9 blends, 475 data points) collected from open literature and data of 3 gaseous hydrate formers (CH4, CO2, and natural gas). The overall deviation of the determined gas hydrates dissociation temperatures for the whole databank is found to be 0.40 K (0.14%), while the most significant individual deviation does not exceed 1.76%, proving the remarkable performance of the developed calculation procedure. Not only does not the model benefit from parameter regression, but it also offers accurate predictions in the complex systems of the inhibitors’ blends. When NAAs are employed solely (409 data points), the deviations of the model results from real data of gas hydrates dissociation temperatures are 0.39 K. On the other hand, in the presence of NAAs mixtures with ILs, alcohols, and salts (66 data points), which represent highly complex systems, the deviation is 0.41 K.
KW - Amino Acid
KW - Clathrate hydrate
KW - Extended Debye-Hückel
KW - Flory-Huggins
KW - Gas hydrate
KW - Ionic liquid
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U2 - 10.1016/j.fuel.2022.124960
DO - 10.1016/j.fuel.2022.124960
M3 - Article
AN - SCOPUS:85133474389
SN - 0016-2361
VL - 326
JO - Fuel
JF - Fuel
M1 - 124960
ER -