The glass transition temperatures of amorphous trehalose–water mixtures and the mobility of water: an experimental and in silico study Original Research Article

Isothermal–isobaric molecular dynamics simulations are used to calculate the specific volume of models of trehalose and three amorphous trehalose–water mixtures (2.9%, 4.5% and 5.3% (w/w) water, respectively) as a function of temperature. Plots of specific volume versus temperature exhibit a characteristic change in slope when the amorphous systems change