Parameters

Component

Source

Type of Data required in regression and their sources

Δf

H2O, MDEA, CO2

Aspen Databank  [16]

 

Δf

H2O, MDEA, CO2

Aspen Databank [16]

 

H2O, CO2
MDEA

Aspen Databank [16]
Regression

Data (Liquid heat capacity of MDEA)
Regression (Maham et al. [35], Chen et al. [34], Zhang et al. [35])

Δf

H3O+, OH-, HCO3-, CO32-
MDEAH+

Aspen Databank [16]
Regression

Data (VLE, excess enthalpy, heat capacity, and species concentration from
NMR spectra for the MDEA-H2O-CO2 system)
Regression (Kuranov et al. [36], Kamps et al. [37], Ermatchkov et al. [13], Mathonat [39], Weiland et al. [40], Jackobsen et al. [41])

Δf

H3O+, OH-, HCO3-, CO32-
MDEAH+

Aspen Databank [16]
Regression

Data (VLE, excess enthalpy, heat capacity, and species concentration from
NMR spectra for the MDEA-H2O-CO2 system)
Regression (Kuranov et al. [36], Kamps et al. [37], Ermatchkov et al. [38], Mathonat [39], Weiland et al. [40], Jackobsen et al. [41])

H3O+, OH-

Aspen Databank  [16]
Criss and Cobble [31]
Regression

Data (VLE, excess enthalpy, heat capacity, and species concentration from
NMR spectra for the MDEA-H2O-CO2 system)
Regression (Kuranov et al. [36], Kamps et al. [37], Ermatchkov et al. [38], Mathonat [39], Weiland et al. [40], Jackobsen et al. [41])

ΔvapH

MDEA

Regression

Heat of vaporization of MDEA, calculated from the vapor Pressure (Antoine Equation) using the Clausius-Clapeyron equation

Antoine Equation

MDEA

Regression

Data (Vapor pressure of MDEA, heat of vaporization of MDEA, calculated from the vapor pressure using the Clausius-Clapeyron equation)
Regression (Daubert et al. [42], Noll et al. [43], VonNiederhausern et al. [44])

Dielectric Constant

MDEA

Criss and Cobble [31]

 

Henry’s Constant

CO2 in H2O
CO2 in MDEA

Yan and Chen [32]
Zhang & Chen [33]

 

NRTL-Electrolyte Binary Parameters

CO2-H2O binary
MDEA-H2O binary
MDEA-H2O-CO2 Molecule-Electrolyte Binaries

Regression1-DE
Regression2-DE
Regression3-DE

Data

  1. Solubility of CO2 in pure water
  2. VLE, excess enthalpy, and heat capacity for the MDEA-H2O and CO2-H2O binaries
  3. VLE, excess enthalpy, heat capacity, and species concentration from NMR spectra for the MDEA-H2O-CO2  system

Regression
1. Yan & Chen [32]
2.  (Xu et al. [45], Voutsas et al. [46], Kim et al. [47], Posey [9], Maham et al. [30,31], Chiu and Li [48], Chen e al. [50], Zhang et al. [49])
3. (Kuranov et al. [36], Kamps et al. [37], Ermatchkov et al. [38], Mathonat [39], Weiland et al. [40], Jackobsen et al. [41])

Table 4: Parameters estimated in modelling with their sources and the type of data regressed.