2022/04/26 by Marco Antônio Habitzreuter, Habitzreuter, Marco Antônio, Márcia C. Barbosa +1
Biochemistry, Genetics and Molecular Biology · Chemical Engineering · Physics and Astronomy · #82B21 #82B80 #FOS: Physical sciences #Protein Structure and Dynamics #Soft Condensed Matter (cond-mat.soft) #Spectroscopy and Quantum Chemical Studies #Statistical Mechanics (cond-mat.stat-mech) #Thermodynamic properties of mixtures
paper · pdf · doi:10.48550/arxiv.2204.12448
openalex publication_date 2022/04/26 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
We study the change in the temperature of maximum density (TMD) of a water-like solvent when small amounts of solute are added to the mixture. The water is modeled as a two length scales potential, which is known to exhibit water-like characteristic anomalies, while the solute is chosen to have an attractive interaction with the solvent. If the solute is a structure maker the TMD increases with the addition of solute, while if it is a structure breaker the TMD decreases. Both in an exact one dimensional model and using molecular dynamics in three dimensions we show that the necessary ingredient to represent structure makers is a strong solute-solvent attraction.