“In Silico” Seawater

Many important processes affecting the earth’s climate are determined by physical properties of seawater. In addition, desalination seawater is a significant source drinking water for human population living in coastal areas. Since governing these depend on molecular interactions among its components, deeper knowledge at level would contribute to better understanding phenomena. However, strong contrast with situation other areas such as biomolecules or materials science, simulation studies reporting currently lacking. This probably due usual perception composition being too complex approach. point view ignores fact that dependent single parameter representing composition, namely salinity. because relative proportions any two major constituents seasalt always same. Another obstacle performing simulations could have been unavailability satisfactory force field between molecules and dissolved substances. this drawback has recently overcome proposal Madrid-2019 field. work we show first time feasible. We performed dynamics system, which close average standard given way able provide quantitative semiquantitative predictions number relevant temperatures salinities from oceanographic range those processes. The computed magnitudes include static (density), dynamical (viscosity diffusion coefficients), structural (ionic hydration, ion–ion distribution functions), interfacial (surface tension) properties.