Molecular Aspects on the Dissolution and Nucleation of Ionic Crystals in Water

Abstract

Publisher Summary Crystals are formed in the gas, solid, and solution phases, but majority of the crystals are formed in solution. The dissolution of crystals is a well-known phenomenon. A number of macroscopic observations have been carried out on crystal formation and dissolution in various solvents by the use of optical and electron microscopes. The kinetic and dynamic properties of crystal growth and dissolution have been investigated in various chemical contexts. The structural analysis of crystals is an indispensable method in chemistry. This chapter explains the microscopic mechanism of the dissolution and nucleation processes of crystals at a molecular level with the help of molecular dynamic (MD) simulations and, partly, of solution X-ray diffraction salts. The reliability of results, obtained by molecular dynamic simulations, strongly depends on the pair-potential functions employed. If molecules are not strictly spherical, the choice of the structure models for the molecules become an essential factor determining the reliability of results. The chapter presents an outline of various models. The observation of crystal formation and growth from nuclei can be achieved with the aid of high-speed computers and graphic displays. The development of ultra high-speed computers is expected to make possible the simulation of reasonably large systems.