Table 2. Mixture Compositions of Saturated Hydrogen–Water Mixtures Obtained from VLE Simulations Using the Marx99 and TIP3P100 Force Fields.
T (K) | P (bar) | yH2 | yH2O |
---|---|---|---|
423.15 | 50.00 | 0.862 | 0.138 |
423.15 | 80.00 | 0.914 | 0.086 |
423.15 | 100.00 | 0.928 | 0.072 |
423.15 | 300.00 | 0.975 | 0.025 |
423.15 | 500.00 | 0.984 | 0.016 |
423.15 | 800.00 | 0.990 | 0.010 |
423.15 | 1000.00 | 0.992 | 0.008 |
366.48 | 10.00 | 0.892 | 0.108 |
366.48 | 50.00 | 0.978 | 0.022 |
366.48 | 80.00 | 0.986 | 0.014 |
366.48 | 100.00 | 0.989 | 0.011 |
366.48 | 300.00 | 0.996 | 0.004 |