ABSTRACT
Computer simulations on the molecular level have grown into the third fundamental discipline of liquid state research besides experiment and analytic theory. Various levels of modeling can be applied to the study of liquids and interfaces. They may be classified by the degree of atomic and molecular detail in the description of the microscopic interactions. Simulations of water in synthetic and biological membranes are often performed by modeling the pore as an approximately cylindrical tube of infinite length. The interactions between water and aqueous solutions and another phase have been modeled in various ways. The most simple models consist of an aqueous system in contact with a hard or soft wall described by one-dimensional repulsive or weakly attractive potential functions. The simulated free surface of liquid water is relatively stable for several nanoseconds because of the strong hydrogen bonds formed by liquid water.
