TY - JOUR

T1 - Solubility of CO2 in aqueous 2‑amino‑1, 3‑propanediol (Serinol) at elevated pressures

AU - Abdul Samat, N.F.N.

AU - Yusoff, R.B.

AU - Aroua, M.K.

AU - Ramalingam, A.

AU - Kassim, M.A.

PY - 2019/3/1

Y1 - 2019/3/1

N2 - In this work, aqueous 2‑amino‑1, 3‑propanediol solution (serinol) was investigated as a potential solvent for CO 2 capture from different gas streams. Prior to CO 2 solubility experiments, a qualitative prediction technique was performed on serinol to ensure its potentiality as a CO 2 capture solvent. This was done using COSMO-RS approach based on quantum chemistry calculations. Based on this approach, serinol showed good affinity towards hydrogen–bond donors which proved to be beneficial in developing intermolecular interaction between serinol and CO 2. The solubility of CO 2 in serinol was then investigated at serinol concentrations ranging from 1 M to 3 M, temperatures ranging from 313.15 K to 353.15 K and CO 2 partial pressures ranging from 1034.31 kPa to 2068.43 kPa. The solubility of CO 2 in serinol reached a highest value of 1.64 mol of CO 2/mol of serinol when the serinol concentration was 1 M, at 313.15 K and 2068.43 kPa. Meanwhile, Henry's law constant of CO 2 in serinol was calculated using N 2O analogy at 313.15 K and 333.15 K for molar concentrations of 1 M and 3 M of serinol. Results showed that the physical solubility of CO 2 in serinol increased as the temperature and the concentration of the solution decreased. The lowest value of Henry's law constant of CO 2 was 599.4 kPa·m 3·kmol −1, for 1 M of serinol at 313.15 K. Furthermore, the recyclability of 3 M of serinol was investigated at 313.15 K and partial pressures ranging from 1034.31 kPa to 2068.43 kPa. At 1034.31 kPa, the solubility of CO 2 in 3 M of aqueous serinol after the 3rd regeneration cycles were reduced to 72.73%.

AB - In this work, aqueous 2‑amino‑1, 3‑propanediol solution (serinol) was investigated as a potential solvent for CO 2 capture from different gas streams. Prior to CO 2 solubility experiments, a qualitative prediction technique was performed on serinol to ensure its potentiality as a CO 2 capture solvent. This was done using COSMO-RS approach based on quantum chemistry calculations. Based on this approach, serinol showed good affinity towards hydrogen–bond donors which proved to be beneficial in developing intermolecular interaction between serinol and CO 2. The solubility of CO 2 in serinol was then investigated at serinol concentrations ranging from 1 M to 3 M, temperatures ranging from 313.15 K to 353.15 K and CO 2 partial pressures ranging from 1034.31 kPa to 2068.43 kPa. The solubility of CO 2 in serinol reached a highest value of 1.64 mol of CO 2/mol of serinol when the serinol concentration was 1 M, at 313.15 K and 2068.43 kPa. Meanwhile, Henry's law constant of CO 2 in serinol was calculated using N 2O analogy at 313.15 K and 333.15 K for molar concentrations of 1 M and 3 M of serinol. Results showed that the physical solubility of CO 2 in serinol increased as the temperature and the concentration of the solution decreased. The lowest value of Henry's law constant of CO 2 was 599.4 kPa·m 3·kmol −1, for 1 M of serinol at 313.15 K. Furthermore, the recyclability of 3 M of serinol was investigated at 313.15 K and partial pressures ranging from 1034.31 kPa to 2068.43 kPa. At 1034.31 kPa, the solubility of CO 2 in 3 M of aqueous serinol after the 3rd regeneration cycles were reduced to 72.73%.

KW - Bioglycerol

KW - CO2 capture

KW - COSMO-RS

KW - Henry's law constant

KW - Regeneration

KW - Serinol

KW - Quantum chemistry

KW - Solubility

KW - Henry's Law constant

KW - Carbon dioxide

U2 - 10.1016/j.molliq.2018.12.102

DO - 10.1016/j.molliq.2018.12.102

M3 - Journal article

VL - 277

SP - 207

EP - 216

JO - Journal of Molecular Liquids

JF - Journal of Molecular Liquids

SN - 0167-7322

ER -