TY - JOUR
T1 - Molecular Thermodynamic Modeling of Hybrid Ionic Liquids for Biogas Upgrading
AU - Alkhatib, Ismail I.I.
AU - Bahamon, Daniel
AU - Al Hajaj, Ahmed
AU - Vega, Lourdes F.
N1 - Funding Information:
This work is in honor of Prof. Joan F. Brennecke for her outstanding and visionary contributions in expanding the fundamental understanding and innovative applications of ionic liquids. Financial support was provided by Khalifa University of Science and Technology, through Project No. RC2-2019-007. Computational resources from the Research and Innovation Center on CO and Hydrogen (RICH Center) are gratefully acknowledged. 2
Publisher Copyright:
© 2022 American Chemical Society. All rights reserved.
PY - 2022/8/24
Y1 - 2022/8/24
N2 - This work focuses on the use of hybrid ionic liquids (ILs) solvents from mixtures of ILs with physical diluents as potential low viscosity solvents for biogas upgrading. The thermodynamic and thermal properties of hybrid solvents composed of [C4mim][BF4] mixed with several diluents such as water, methanol, acetone, or N-Methyl-2-pyrrolidone (NMP) were quantified using polar soft-SAFT. Results revealed that all diluents contributed equally to reducing the solvents viscosity of the pure IL, however, at the expense of increased isobaric heat capacity, vaporization enthalpy, and sometimes, reduced solubility in the case of water addition. We find that acetone is good a diluent, yielding an acceptable increase in CH4and CO2solubility and with favorable decreases in viscosity and the heat of absorption among selected solvents. The collection of acquired results confirmed the reliability of polar soft-SAFT as an attractive and valuable platform toward the rational design of hybrid solvents for biogas upgrading.
AB - This work focuses on the use of hybrid ionic liquids (ILs) solvents from mixtures of ILs with physical diluents as potential low viscosity solvents for biogas upgrading. The thermodynamic and thermal properties of hybrid solvents composed of [C4mim][BF4] mixed with several diluents such as water, methanol, acetone, or N-Methyl-2-pyrrolidone (NMP) were quantified using polar soft-SAFT. Results revealed that all diluents contributed equally to reducing the solvents viscosity of the pure IL, however, at the expense of increased isobaric heat capacity, vaporization enthalpy, and sometimes, reduced solubility in the case of water addition. We find that acetone is good a diluent, yielding an acceptable increase in CH4and CO2solubility and with favorable decreases in viscosity and the heat of absorption among selected solvents. The collection of acquired results confirmed the reliability of polar soft-SAFT as an attractive and valuable platform toward the rational design of hybrid solvents for biogas upgrading.
UR - http://www.scopus.com/inward/record.url?scp=85130073010&partnerID=8YFLogxK
U2 - 10.1021/acs.iecr.2c00710
DO - 10.1021/acs.iecr.2c00710
M3 - Article
AN - SCOPUS:85130073010
SN - 0888-5885
VL - 61
SP - 12190
EP - 12207
JO - Industrial and Engineering Chemistry Research
JF - Industrial and Engineering Chemistry Research
IS - 33
ER -