Table 2 ePC-SAFT pure-component parameters applied in this work with the sources for the respective sets of parameters.
From: New thermodynamic activity-based approach allows predicting the feasibility of glycolysis
\(m_{i}^{{{\text{seg}}}}\) | \(\sigma_{i}\) | \({{u_{i} } \mathord{\left/ {\vphantom {{u_{i} } {k_{B} }}} \right. \kern-\nulldelimiterspace} {k_{B} }}\) | \(N_{i}^{{{\text{assoc}}}}\) | \({{\varepsilon^{{A_{i} B_{i} }} } \mathord{\left/ {\vphantom {{\varepsilon^{{A_{i} B_{i} }} } v}} \right. \kern-\nulldelimiterspace} v}\) | \(\kappa^{{A_{i} B_{i} }}\) | \(z_{i}\) | Source | |
|---|---|---|---|---|---|---|---|---|
– | Å | K | – | K | – | – | ||
Glucose | 6.6260 | 2.9860 | 244.53 | 5 + 5 | 5000.0 | 0.1 | – | |
ATP | 50.1628 | 2.1398 | 164.92 | 7 + 7 | 862.4 | 0.0001 | – | |
ADP | 18.8255 | 2.3283 | 169.55 | 6 + 6 | 1285.5 | 0.0001 | – | |
G6P | 22.3290 | 2.2266 | 243.31 | 5 + 5 | 5000.0 | 0.1 | – | |
F6P | 35.5936 | 1.8100 | 198.49 | 5 + 5 | 5000.0 | 0.1 | – | |
FBP | 19.8735 | 2.2922 | 215.77 | 5 + 5 | 5000.0 | 0.1 | − 3 | |
DHAP | 1.3472 | 4.1611 | 289.43 | 2 + 2 | 3614.4 | 0.1 | − 1 | |
GAP or 2-PG or 3-PG | 3.1100 | 4.6600 | 322.02 | 5 + 5 | 501.2 | 0.0001 | − 2 | |
NA\({\text{D}}^{ + }\) | 25.0875a | 2.2714a | 299.04 | 8 + 8 | 3557.3 | 0.001 | – | |
NADH | 27.3947 | 2.7559 | 380.52 | 8 + 8 | 3711.9 | 0.001 | − 2 | |
BPG | 2.9053 | 2.3452 | 216.84 | 5 + 5 | 501.2 | 0.0001 | − 4 | |
PEP | 12.0070 | 2.2000 | 407.27 | 2 + 2 | 5000.0 | 0.1 | − 2 | |
Pyruvate | 18.7471 | 2.0812 | 141.02 | 2 + 2 | 0 | 0.04509 | − 1 | |
Water | 1.2047 | b | 353.94 | 1 + 1 | 2425.7 | 0.04509 | – | |
Tris | 6.3730 | 2.7484 | 302.16 | 1 + 1 | 4786.9 | 0.02027 | – | |
\({\text{K}}^{ + }\) | 1 | 3.3417 | 200.00 | – | – | – | + 1 | |
N\({\text{a}}^{ + }\) | 1 | 2.8232 | 230.00 | – | – | – | + 1 | |
\({\text{H}}_{{3}} {\text{O}}^{ + }\) | 1 | 3.4654 | 500.00 | – | – | – | + 1 | |
Tris-\({\text{H}}^{ + }\) | 10.2047 | 2.4081 | 348.10 | 4 + 4 | 10,970.9 | 10–6 | – | |
\({\text{NH}}_{4}^{ + }\) | 1 | 3.5740 | 230.00 | – | – | – | + 1 | |
\({\text{Mg}}^{2 + }\) | 1 | 3.1327 | 1500.00 | – | – | – | + 2 | |
C\({\text{l}}^{{}}\) | 1 | 2.7560 | 170.00 | – | – | – | − 1 | |
\({\text{H}}_{{2}}\)P\({\text{O}}_{{4}}^{ - }\) | 1 | 3.6505 | 95.00 | – | − 1 | |||
HP\({\text{O}}_{{4}}^{{2 - }}\) | 1 | 2.1621 | 146.02 | – | – | − 2 | ||
\({\text{SO}}_{4}^{2 - }\) | 1 | 2.6491 | 80.00 | – | – | – | − 2 |
