Nonconformal interaction models and thermodynamics of polar fluids.
In this work, we develop a simple potential model for polar molecules which represents effectively and accurately the thermodynamics of dilute gases. This potential models dipolar interactions whose nonpolar part is either spherical, as in Stockmayer (SM) molecules, or diatomic, as for 2-center Lennard-Jones molecules (2CLJ). Predictions of the second virial coefficient for SM and polar 2CLJ fluids for various dipole moments and elongations agree very well with results of recent numerical calculations by C. Vega and co-workers (Phys. Chem. Chem Phys. 2002, 4, 3000). The model is used to predict the critical temperature of Stockmayer fluids for variable dipole moment and is applied to HCl as an example of a real polar molecule.
Avalos
Edgar
E
Departamento de Fisica, Universidad Autónoma, Metropolitana, Iztapalapa, Apdo 55 534.
del Río
Fernando
F
Lago
Santiago
S