Thermodynamics Research Center / ThermoML | Journal of Chemical and Engineering Data

Thermodynamic and Kinetic Studies of CO2 Capture by Glycol and Amine-Based Deep Eutectic Solvents

Haider, Mohd Belal, Jha, Divyam, Sivagnanam, Balathanigaimani Marriyappan, Kumar, Rakesh
J. Chem. Eng. Data 2018, 63, 8, 2671-2680
ABSTRACT
Anthropogenic CO2 emissions into the atmosphere are responsible for the global warming, therefore, it is essential to reduce these emissions at source. Recently, deep eutectic solvents (DESs) have shown great potential to absorb the CO2. In the current study,15 different types of amine and glycol based deep eutectic solvents were synthesized and investigated for CO2absorption.In general, amine based solvents have shown higher CO2absorption as compared to glycol based solvents. In particular, the highest CO2 absorption was observed for tetrabutyl ammonium bromide and methyldiethanol amine (TBAB/4MDEA) system having CO2 solubility of 0.29 (mol CO2/mol solvent) at 10 bar and 303.15 K. Thermophysical properties of all synthesized DES were estimated using modified Lydersen-Joback-Reid method and Lee-Kesler mixing rule. Experimental CO2 solubility data was well fitted using NRTL and PENG-ROB thermodynamic models.Apart, CO2 solubility data was correlated with Henry's law and Henry's constant was calculated for all DESs. Kinetic modelling of CO2 absorption in DESs was also studied and rate constants were evaluated.
Compounds
# Formula Name
1 C5H14ClNO choline chloride
2 C2H6O2 1,2-ethanediol
3 C4H10O3 diethylene glycol
4 C5H13NO2 N-methyldiethanolamine
5 C16H36BrN tetrabutylammonium bromide
6 CO2 carbon dioxide
7 H2O water
8 C4H11NO2 diethanolamine
Datasets
The table above is generated from the ThermoML associated json file (link above). POMD and RXND refer to PureOrMixture and Reaction Datasets. The compound numbers are included in properties, variables, and phases, if specificied; the numbers refer to the table of compounds on the left.
Type Compound-# Property Variable Constraint Phase Method #Points
  • POMD
  • 8
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 1
  • 2
  • Mass density, kg/m3 ; Liquid
  • Mole fraction - 1; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 1
  • 2
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • DTA
  • 3
  • POMD
  • 1
  • 2
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • DTA
  • 2
  • POMD
  • 1
  • 3
  • Mass density, kg/m3 ; Liquid
  • Mole fraction - 1; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Pycnometric method
  • 2
  • POMD
  • 1
  • 4
  • Mass density, kg/m3 ; Liquid
  • Mole fraction - 1; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Pycnometric method
  • 2
  • POMD
  • 1
  • 8
  • Mass density, kg/m3 ; Liquid
  • Mole fraction - 1; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Pycnometric method
  • 1
  • POMD
  • 1
  • 8
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 8; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal of unknown type
  • DTA
  • 5
  • POMD
  • 5
  • 2
  • Mass density, kg/m3 ; Liquid
  • Mole fraction - 5; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Pycnometric method
  • 3
  • POMD
  • 5
  • 3
  • Mass density, kg/m3 ; Liquid
  • Mole fraction - 5; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Pycnometric method
  • 3
  • POMD
  • 5
  • 4
  • Mass density, kg/m3 ; Liquid
  • Mole fraction - 5; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Pycnometric method
  • 2
  • POMD
  • 5
  • 8
  • Mass density, kg/m3 ; Liquid
  • Mole fraction - 5; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Pycnometric method
  • 1
  • POMD
  • 1
  • 2
  • 6
  • Mole fraction - 6 ; Liquid
  • Pressure, kPa; Liquid
  • Solvent: Mole fraction - 1; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Phase equilibration
  • 5
  • POMD
  • 1
  • 3
  • 6
  • Mole fraction - 6 ; Liquid
  • Pressure, kPa; Liquid
  • Solvent: Mole fraction - 1; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Phase equilibration
  • 14
  • POMD
  • 5
  • 2
  • 6
  • Mole fraction - 6 ; Liquid
  • Pressure, kPa; Liquid
  • Solvent: Mole fraction - 5; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Phase equilibration
  • 17
  • POMD
  • 5
  • 3
  • 6
  • Mole fraction - 6 ; Liquid
  • Pressure, kPa; Liquid
  • Solvent: Mole fraction - 5; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Phase equilibration
  • 14
  • POMD
  • 5
  • 4
  • 6
  • Mole fraction - 6 ; Liquid
  • Pressure, kPa; Liquid
  • Solvent: Mole fraction - 5; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Phase equilibration
  • 12
  • POMD
  • 5
  • 8
  • 6
  • Mole fraction - 6 ; Liquid
  • Pressure, kPa; Liquid
  • Solvent: Mole fraction - 5; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Phase equilibration
  • 5
  • POMD
  • 1
  • 4
  • 6
  • Mole fraction - 6 ; Liquid
  • Pressure, kPa; Liquid
  • Solvent: Mole fraction - 1; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Phase equilibration
  • 12
  • POMD
  • 1
  • 8
  • 6
  • Mole fraction - 6 ; Liquid
  • Pressure, kPa; Liquid
  • Solvent: Mole fraction - 1; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Phase equilibration
  • 5
  • POMD
  • 4
  • 7
  • 6
  • Mole fraction - 6 ; Liquid
  • Pressure, kPa; Liquid
  • Solvent: Mass fraction - 4; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Phase equilibration
  • 6
  • POMD
  • 6
  • 3
  • Mole fraction - 6 ; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Phase equilibration
  • 5