Pressure-composition data for CO 2 (1) + 2,4-DMP (2) at different temperatures.

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... calculation [4,51,53]. The critical curve was also examined beginning at the CO 2 critical point and continuing up to 422.35 K. The greatest pressure, which corresponds to the critical pressure maximum (CPM), was 121.4 bar. The results are shown in Table 4 together with their standard uncertainties evaluated as explained in ref. [72]. Fig. 1 illustrates the isotherms determined in this study located in the supercritical region of CO 2 , while Fig. 2 depicts the P-T projection of the experimental critical ...

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... smallest errors both in bubble-point pressures and vapor-phase compositions are achieved with SRK/1PCMR, followed closely by PR/ 1PCMR, and the largest ones are obtained with the GEOS/1PCMR model ( Fig. 1S.-5S., Supplementary information). While the calculation results cannot be distinguished in the liquid phase compositions up to medium pressures for all three models at each temperature, the differences in the vapor curves are clearer (Fig. 2S. -5S.) It should be remarked that though the AADP, % and AADY, % have the highest values for ...

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... isothermal data were regressed with GEOS, PR, and SRK equations of state coupled with classical van der Waals mixing rules with two binary interaction parameters (BIPs) and the results are plotted in Fig. 6S.-9S. An example of the optimization result using classical van der Waals mixing rules with one-and two-conventional parameters is shown in Fig. 10S. As temperature increases, the modeling results are improved for the 2PCMR mixing rule. The correlation results are shown in Table 6. The meaning of the data presented in this table is similar to that presented for modeling with one parameter, with the exception of the binary interaction parameter, l ij . Both errors in pressure and ...

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... data. The calculation results with average values of the BIPs are shown as full lines in each figure (GEOS -dark red; SRK -green; PR -dark blue). As expected, the experimental LV critical curve in the P-T projection is best reproduced by SRK, while PR is slightly underestimating the CPM (~ 2 bar) and GEOS is calculating the CPM at 107.51 bar (Fig. ...

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... the critical composition corresponding to the CPM is undervalued by all three models, while the critical temperature is much smaller than the experimental one for GEOS and higher for both SRK and PR, which is reflected in the P-X 1 , and T-X 1 projections (Fig. 5-7 and Fig. 12S and ...

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... in Fig. 5-7 are compared the experimental LV critical data and the calculation results separately for each model, in Fig. 11S. -13S. the experimental data are plotted together with all three EoSs in the corresponding projection. Fig. 5 shows the results by GEOS model with the average values of Fig. 7 (c), the projection of the LLV line is also shown. The AADP, % and AADY, % are slightly larger for the average values of the BIPs, as can be seen in Table 7, ...

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... mentioned in the Modeling section, for the PR EoS, the binary interaction parameters were simultaneously fitted to all four isotherms using flash calculations. Thus, the BIPs are k 12 = 0.060390 and l 12 = 0.042365, while the AADP is 1.91% and AADY is 1.41%. This approach improved marginally the LV critical curve (Fig. 6 and 14S.) and the vapor-liquid calculations (Fig. ...

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... section, for the PR EoS, the binary interaction parameters were simultaneously fitted to all four isotherms using flash calculations. Thus, the BIPs are k 12 = 0.060390 and l 12 = 0.042365, while the AADP is 1.91% and AADY is 1.41%. This approach improved marginally the LV critical curve (Fig. 6 and 14S.) and the vapor-liquid calculations (Fig. ...

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... for the P-T, P-X 1 , and T-X 1 projections in the case of GEOS model compared with the average BIPs' calculations ( Fig. 5, dashed lines). However, even though the value of the CPM (120.95 bar) is nearer to the experimental one (121.4 bar), the corresponding critical composition is much smaller. Therefore, in the pressure-compositions diagrams (Fig. 15S), the vapor curves are located at lower compositions in CO 2 . For the PR (Fig. 6, purple dashed lines) and SRK (Fig. 7, dark green dashed lines) EoSs the critical behavior is similar and better matched than using the average values of BIPs. It should be remarked that the liquid phase compositions are underestimated for both PR and SRK ...

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... at lower compositions in CO 2 . For the PR (Fig. 6, purple dashed lines) and SRK (Fig. 7, dark green dashed lines) EoSs the critical behavior is similar and better matched than using the average values of BIPs. It should be remarked that the liquid phase compositions are underestimated for both PR and SRK EoSs in the P-X 1 , Y 1 diagrams ( Fig. 16S and 17S). The AADP (%) and AADY (%) for the three models with the temperature-dependent k ij and the constant l ij are reported in Table 1S, and their values are ...