2003/11/19 by E. La Nave, Emilia La Nave, S. Mossa +4 · 1 citation
Chemical Engineering · Engineering · Materials Science · Physics and Astronomy · #Material Dynamics and Properties #Phase Equilibria and Thermodynamics #Thermodynamic properties of mixtures #cond-mat.dis-nn #cond-mat.soft
paper · pdf · doi:10.1063/1.1650295
published as J. Chem. Phys. 120, 6128 (2004) · RevTeX 4, 8 pages, 8 eps figures
arxiv created 2003/11/19 · openalex publication_date 2004/03/15 · arxiv updated 2009/12/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
We report an extensive study of the phase diagram of a simple model for ortho-terphenyl, focusing on the limits of stability of the liquid state. Reported data extend previous studies of the same model to both lower and higher densities and to higher temperatures. We estimate the location of the homogeneous liquid-gas nucleation line and of the spinodal locus. Within the potential energy landscape formalism, we calculate the distributions of depth, number, and shape of the potential energy minima and show that the statistical properties of the landscape are consistent with a Gaussian distribution of minima over a wide range of volumes. We report the volume dependence of the parameters entering in the Gaussian distribution (amplitude, average energy, variance). We finally evaluate the locus where the configurational entropy vanishes, the so-called Kauzmann line, and discuss the relative location of the spinodal and Kauzmann loci.