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Methane (CH4) is the first in the homologous series of alkanes.

Lennard-Jones parameters[edit]

Methane is sometimes simulated as a single Lennard-Jones site using a united-atom model. Some Lennard-Jones parameters for methane are listed in the following table:

Force-field \epsilon/k_B (K) \sigma (nm) Reference
OPLS 147.9 0.373 [1]
TraPPE 148 0.373 [2]

Three-body model[edit]

A Hauschild and Prausnitz [3] like three-body potential has been developed by Abbaspour [4], building on the OPLS model.

Plastic crystal phase[edit]

The methane has a plastic crystal phase.

Transport properties[edit]



Related reading