Calculation of Physical Properties of the Methanol-Water Mixture Using Molecular Dynamics Simulation

In this study some properties of the methanol-water mixture such as diffusivity, density,viscos ity, and hydrogen bonding were calculated at different temperatures andatmosph eric pressure using molecular dynamics simulations (mds) . the results werecompared with the available experimental data as well as some theoretical models;overall indicating a good agreement. this shows the useful and effe ctive application ofmds f or determination ofphys ical prop erties.