Table 2.
Rotational, vibrational, and translational contributions to the entropic term -TΔS for liquid methane and a mixture of ethane and hydrogen, at T = 2,000 K and P = 4 GPa
| -TS (eV) | Rotation | Vibration | Translation | Total |
| Methane | −26.5(2) | −78.5(1) | −94.0(7) | −199(1) |
| Ethane | −20.3(1) | −99.5(1) | −50.5(4) | −170.3(6) |
| Hydrogen | −7.6(5) | −5.7(1) | −41.1(3) | −54.4(9) |
| -TΔS/CH4 | −0.02(2) | −0.55(3) | 0.04(2) | −0.53(5) |
T is the temperature and S is the entropy