Journal of Thermodynamics / 2010 / Article / Tab 1

Research Article

Determination of Reference Chemical Potential Using Molecular Dynamics Simulations

Table 1

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

CompoundMD SimulationThe Lee-Holder model [6]Pradhan et al. [4]% Error (from the Lee-Holder model)

Propane17301479.72921.516.92
Isobutane19001972926.73.65
Cyclopropane12751264.5932.21.674

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