2012/08/09 by Lotta Heckmann, Barbara Drossel · 7 citations
Chemistry · Engineering · Materials Science · Physics and Astronomy · #Chemistry #Function (biology) #Gibbs free energy #Material Dynamics and Properties #Materials science #Partition function (quantum field theory) #Phase Equilibria and Thermodynamics #Phase transition #Physics #Quantum mechanics #Range (aeronautics) #Statistical physics #Theoretical and Computational Physics #Thermodynamics #cond-mat.stat-mech #van der Waals force
paper · pdf · doi:10.1063/1.4742332
published in The Journal of Chemical Physics 137(6), 064503 (American Institute of Physics)
openalex publication_date 2012/08/09 · arxiv created 2012/09/26 · arxiv updated 2012/09/28 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/05
We investigate a one-dimensional model that shows several properties of water. The model combines the long-range attraction of the van der Waals model with the nearest-neighbor interaction potential by Ben-Naim, which is a step potential that includes a hard core and a potential well. Starting from the analytical expression for the partition function, we determine numerically the Gibbs energy and other thermodynamic quantities. The model shows two phase transitions, which can be interpreted as the liquid-gas transition and a transition between a high-density and a low-density liquid. At zero temperature, the low-density liquid goes into the crystalline phase. Furthermore, we find several anomalies that are considered characteristic for water. We explore a wide range of pressure and temperature values and the dependence of the results on the depth and width of the potential well.