Abstract
A combined experimental and theoretical study on the micro and macroscopic properties of liquid mixtures containing glycerol, as common component, and 2-butanol, 2,3-butanediol, 2-methyl-1-propanol, and benzyl alcohol is reported in this work. Thermophysical properties were measured over the whole compositions range in the 298.15 K–318.15 K temperature range and analyzed considering excess thermodynamic properties in terms of intermolecular forces. Quantum chemistry and molecular dynamics simulations were carried to analyze the properties of mixed systems in terms of the characteristics of hydrogen bonding, nanostructuring and molecular level effects. The reported results provide a multiscale approach to the study on hydrogen bonding in complex alcohol mixtures.
Sign-in/Register to access full text options 
Free) 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a call
