Solvation models

Solvation models are computational tools used in chemistry to simulate how molecules interact with solvents, like water. They help predict how a solute (a substance dissolved) behaves when surrounded by solvent molecules. These models account for interactions such as electrostatic forces and hydrogen bonding, providing insights into properties like stability and reactivity without needing costly lab experiments. Essentially, solvation models help scientists understand and predict how molecules will behave in different liquid environments by approximating the complex interactions in a manageable way.