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Calculation of pressure and temperature data as a function of time

https://doi.org/10.3390/en14206822

The pressure and temperature data as a function of time obtained during the experiments were used for the kinetic and thermodynamic analysis of the high-pressure CO2 capture process. The analysis was based on quantifying the variability of the gas phase moles. Two main parameters were defined:
  • The quantity of CO2 removed refers to the gaseous phase moles transferred to the liquid phase, with respect to the initial amount of gas loaded into the high-pressure vessel. This quantity was calculated using Equation (5):

    WeChat-Image_20221106121520

    where ngas is the CO2 mole number in the gas phase, P is the vessel pressure, V is the gas phase volume, z is the compressibility factor calculated by the Peng–Robinson equation of state [36], and T is the vessel temperature. Moreover, to and t are the initial time and an instantaneous time of the experiment, respectively.

  • The CO2 loading refers to the amount of CO2 removed from the gas phase for each liquid (amine + water) mole initially introduced into the high-pressure vessel. The CO2 loading was calculated using Equation (6):

    WeChat-Image_20221106121523

    where nliquid is the initial number of moles in the liquid phase. Appendix A shows the number of moles in each solution for the different amine concentrations used in this study. For this calculation, the experimental density data of aqueous EDA solutions at 303 K reported by Egorov et al. [37] were used.

Furthermore, the following additional time-dependent parameters were defined to compare the CO2 capture process kinetics:
  • t25t50, and t90 refer to the time required to reach 25%, 50%, and 90%, respectively, of the total amount of CO2 removed from the gas phase at the end of each experiment.
  • dn/dt refers to the CO2 capture rate. This was calculated directly on the curve of the removed amount of CO2 from the gas as a function of time, and corresponds to the maximum value of gas consumption in the experiments’ first instants. This value was obtained numerically using the initial slope method [38].

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