Microscopic Structure and Macroscopic Properties of Mesitylene and 2-Alkanol Binary Mixtures: A Combined Experimental, Molecular Dynamics, and DFT Study.
This study provides a detailed microscopic and macroscopic investigation into the intermolecular interactions and thermophysical properties of binary mixtures containing mesitylene and a homologous series of 2-alkanols (from 2-propanol to 2-octanol). A combined approach utilizing molecular dynamics (MD) simulations, de...