Determination of Reference Chemical Potential Using Molecular Dynamics Simulations

Table 1

Comparison of the reference chemical potential values (J/mol).

Compound	MD Simulation	The Lee-Holder model [6]	Pradhan et al. [4]	% Error (from the Lee-Holder model)
Propane	1730	1479.72	921.5	16.92
Isobutane	1900	1972	926.7	3.65
Cyclopropane	1275	1264.5	932.2	1.674