Clusters in methanol-water mixtures

Methanol-water mixtures have provoked significant study due to their status as 'model amphiphiles' and for their own anomalous thermodynamics. We have carried out a series of molecular dynamics simulations of methanol-water mixtures over the composition range and at a number of different state points. Our simulations have recently been shown to be in excellent agreement with neutron diffraction experiments in the extended structures (clusters) they predict and the subtle behaviour observed on cooling and compression. We are trying to construct systematic techniques to look at the topology and dynamics of these clusters.