| The density functional theory of freezing is derived and applied to a wide variety of systems: adhesive hard spheres, hard sphere mixtures, hard dumbbells and water. Starting with a molecular description of the fluid, the theory proceeds by making defined approximations to predict the thermodynamic conditions under which the liquid freezes into a crystal. The theory is able to predict the density and entropy change on freezing and distinguish between possible crystal symmetries. In general the theory is quite accurate, but in any particular application the quality of the results depend sensitively on the numerical accuracy of the input. The theory should provide a basis for other theories of more complex phenomena such as the crystal - liquid interface, nucleation and crystal growth, and glass formation. |
