https://doi.org/10.1016/j.gee.2016.11.003
“The default constant in Antoine’s equation available in the Aspen Plus gave somewhat high deviations at temperatures above 100 °C. Thus, the constants in Antoine’s equation were fitted using data covering the temperature ranges of 34–144 °C and 5–176.5 °C for water and DEEA, respectively. The optimised constants are given in Table 6 for both water and DEEA.
Table 6. Constants for H2O and DEEA Antoine’s equation and Henry’s physical solubility optimized in this work.
| lnP(Pa)=A+BC+T+DT+ElnT+FTG | |||||||
|---|---|---|---|---|---|---|---|
| A | B | C | D | E | F | G | Component |
| 71,3163 | −7816.9 | 14.40 | 0.0043 | −7.08 | −3.14E-6 | 1.94 | H2O |
| 22.2127 | −5057.22 | −5662 | −0.00982 | 0 | 0 | 0 | DEEA |
| lnHCO2∞(Mpa)=A+BT+ClnT+DT+ET2 | |||||||
| A | B | C | D | E | |||
| 22 | −2350.47 | −0.4701 | 0.00363 | −476975 | |||
The simulation results, together with experimental data, are shown in Fig. 1. Generally, it can be said that the models represent the experimental data very well. For water, the AARD is 1.73%. For DEEA, the AARD is 1.9%, when data from Hartono et al. [15] are excluded and only data from and Kapteina et al. [39] and Klepacova et al. [30] are used in the fitting. As seen in the Fig. 1, the data from Hartono et al. [15] show slightly higher vapour pressures of DEEA in comparison to the other references and the model (AARD 13.7%).
Fig. 1. Water and DEEA vapour pressures: this work (red and black lines, respectively); For H2O,
from Kim et al. [27] and
NIST [26]; For DEEA, + from Kapteina et al. [39] □ from Hartono et al. [15] • from Klepacova et al. [30].
“