Table 6 Simulation conditions for hydrocarbon property calculations.
From: Exploring the promise and limitations of point-charge-free potentials for hydrocarbon modeling
Molecule | Density | ΔΗvap | D | |||
|---|---|---|---|---|---|---|
T (K) | P (bar) | T (K) | P (bar) | T (K) | P (bar) | |
Methane | 111.5 | 1 | 111.65 | 1.01325 | 110 | 20.76 |
Ethane | 184.33 | 1 | 184.55 | 1.01325 | 182 | 250 |
Cyclopentane | 293.15 | 1.01325 | 298.15 | 1.01325 | 298 | 1 |
Cyclohexene | 293.15 | 1.01325 | 298.15 | 1.01325 | 298 | 1 |
