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

Thermophysical Properties and Carbon Dioxide Absorption Studies of Guanidinium-Based Carboxylate Ionic Liquids

Ramkumar, V.[Venkatachalam], Gardas, R. L.[Ramesh L.]
J. Chem. Eng. Data 2019, 64, 11, 4844-4855
ABSTRACT
In this work, five 1,1,3,3-tetramethylguanidine (TMG) based ionic liquids (ILs) having [TMG] cation with monocarboxylic acid as anion {[CH3-(CH2)n.COOH], where n = 2,3, 4, 5 and 6} were synthesized and characterized by 1H-NMR, and 13C-NMR. CO2 absorption capacity was studied for even number carboxylic acid anions [TMG][But], [TMG][Hex] and [TMG][Oct]. The maximum absorption capacity of CO2 was observed for [TMG][Oct], which clearly indicated that the increase in chain length increases the absorption capacity. The physicochemical properties such as density (n), speed of sound (u) viscosity (c) and refractive index (nD) values were measured as a function of temperature over the range from 293.15 K to 343.15 K at atmospheric pressure (0.1 MPa). The experimental density values were fitted with second order polynomial equation and correlated with the expected density proposed by Gardas- Coutinho model. The thermodynamic properties, such as thermal expansion coefficient (a) isentropic compressibility (aS) and free length theory (Lf) were calculated. The strength of ionic interaction between the ions was estimated by calculating lattice potential energy (UPOT) and standard entropy (Sdeg ) from experimental data. The experimental viscosity values were fitted by applying Vogel-Fulcher-Tammann equation and correlated with Arrhenius type equation. Thermal decomposition temperatures (Td) were investigated using TG analysis. The intermolecular interactions of the ILs have been analyzed with the experimental refractive index data at various temperatures and the effects of carboxylate anion chain length and temperature on physicochemical properties were also investigated.
Compounds
# Formula Name
1 C9H21N3O2 1,1,3,3-tetramethylguanidinium butanoate
2 C10H23N3O2 1,1,3,3-tetramethylguanidinium pentanoate
3 C11H25N3O2 1,1,3,3-tetramethylguanidinium hexanoate
4 C12H27N3O2 1,1,3,3-tetramethylguanidinium heptanoate
5 C13H29N3O2 1,1,3,3-tetramethylguanidinium octanoate
6 CO2 carbon dioxide
7 C6H15N3O3 1,1,3,3-tetramethylguanidinium hydrogen carbonate
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
  • 1
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 11
  • POMD
  • 1
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Falling or rolling sphere viscometry
  • 11
  • POMD
  • 1
  • Speed of sound, m/s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Single path-length method
  • 11
  • POMD
  • 1
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 11
  • POMD
  • 2
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 11
  • POMD
  • 2
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Falling or rolling sphere viscometry
  • 11
  • POMD
  • 2
  • Speed of sound, m/s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Single path-length method
  • 11
  • POMD
  • 2
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 11
  • POMD
  • 3
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 11
  • POMD
  • 3
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Falling or rolling sphere viscometry
  • 11
  • POMD
  • 3
  • Speed of sound, m/s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Single path-length method
  • 11
  • POMD
  • 3
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 11
  • POMD
  • 4
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 11
  • POMD
  • 4
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Falling or rolling sphere viscometry
  • 11
  • POMD
  • 4
  • Speed of sound, m/s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Single path-length method
  • 11
  • POMD
  • 4
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 11
  • POMD
  • 5
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 11
  • POMD
  • 5
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Falling or rolling sphere viscometry
  • 11
  • POMD
  • 5
  • Speed of sound, m/s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Single path-length method
  • 11
  • POMD
  • 5
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 11
  • POMD
  • 7
  • Mass density, kg/m3 ; Crystal
  • Temperature, K; Crystal
  • Pressure, kPa; Crystal
  • Crystal
  • X-ray diffraction
  • 1
  • POMD
  • 6
  • 1
  • Amount ratio of solute to solvent - 6 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • phase equilibration
  • 1
  • POMD
  • 6
  • 3
  • Amount ratio of solute to solvent - 6 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • phase equilibration
  • 1
  • POMD
  • 6
  • 5
  • Amount ratio of solute to solvent - 6 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • phase equilibration
  • 1