Can the two-state theory of water revolutionize aqueous solutions?
Project description
Evidence is gathering that water is a two-state liquid. What are the implications of this for aqueous mixtures? During the project we will investigate how water behaves when mixed with various solutes and link the changes in water structure when mixed with other molecules to anomalous properties of mixtures, such as the hydrophobic phenomenon causing a solubility minimum of hydrophobic molecules in water and minimum of mean ionic activity coefficient of salts in water. The effect of the solutes on water structure will be evaluated using molecular dynamics simulations and the information will be introduced to molecular models capable of predicting the anomalous properties of pure water. The goal of this project is to capture anomalous properties of aqueous mixtures in a predictive way.