Research Article
Supercritical Phase Equilibria Modeling of Glyceride Mixtures and Carbon Dioxide Using the Group Contribution EoS
Table 6
GC-EoS pure group and binary interaction parameters used in this work.
(a) Pure group parameters |
| | Reference temperature | Group surface area | Pure group energy parameters | | | | | | |
| CH3 | 600 | 0.848 | 316910 |
−0.9274
| 0.0 | CH2 | 600 | 0.540 | 356080 |
−0.8755
| 0.0 | CH=CH | 600 | 0.867 | 403590 |
−0.7631
| 0.0 | CH2COO | 600 | 1.420 | 831400 |
−1.0930
| 0.0 | CH3COO | 600 | 1.728 | 831400 |
−1.0930
| 0.0 | TGa (triglyceride) | 600 | 3.948 | 346350 |
−1.3460
| 0.0 | CH2OH | 512.6 | 1.124 | 1207500 |
−0.6444
| 0.0 | CHOH | 512.6 | 0.908 | 1207500 |
−0.6444
| 0.0 | CO2 | 304.2 | 1.261 | 531890 |
−0.5780
| 0.0 |
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(b) Binary group interaction parameters |
| | | Attractive energy parameters | Nonrandomness parameters | | | | |
| CO2 | CH3 | 0.898 | 0.0 | 4.683 | 4.683 | CH2 | 0.874 | 0.0 | 4.683 | 4.683 | CH=CH | 0.948 | 0.0 | 0.0 | 0.0 | CH2COO | 1.115 | 0.094 | −1.615 | −1.615 | TG | 1.094 | 0.112 | −1.651 | −1.651 | CH2OH/CHOH | 0.985 | 0.0 | 0.468 | −0.390 |
| TG | CH3/CH2 | 0.860 | 0.0 | 0.0 | 0.0 | CH=CH | 0.883 | 0.0 | 0.0 | 0.0 | CH2COO/CH3COO | 1.237 | 0.0 | −8.700 | −3.656 | CHOH/CH2OHb | 1.079 | −0.029 | −10.53 | −11.23 |
| CH2COO/CH3COO | CH3/CH2 | 0.869 | 0.0 | 0.0 | 0.0 | CH=CH | 1.006 | 0.0 | −0.876 | −0.876 | CHOH/CH2OHb | 0.996 | −0.163 | 0.654 | −2.612 |
| CH2OH/CHOH | CH3 | 0.715 | 0.0 | 10.220 | 1.471 | CH2 | 0.682 | 0.0 | 10.220 | 1.471 | CH=CH | 0.816 | 0.0 | 3.862 | 2.447 |
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a(CH3COO)2CH2COO.
bParameters regressed in this work.
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