Table 2. Specifications of All Studied Binary Molecular Systemsa.
| specification | values |
|---|---|
| total number of molecules | 250, 500, 1000, 2000 |
| independent simulations | 10, 10, 10, 10 |
| second component (mole fraction) | water (0.1, 0.3, 0.5, 0.7, 0.9) |
| ethanol (0.5) | |
| acetone (0.5) | |
| methylamine (0.5) | |
| carbon tetrachloride (0.1) |
a
The first component for all mixtures is methanol. The mole fraction of the second component is specified in parentheses. The force field parameters are available in the Supporting Information.