AUTHOR=Succi Sauro , Moradi Nasrollah , Greiner Andreas , Melchionna Simone TITLE=Lattice Boltzmann modeling of water-like fluids JOURNAL=Frontiers in Physics VOLUME=Volume 2 - 2014 YEAR=2014 URL=https://www.frontiersin.org/journals/physics/articles/10.3389/fphy.2014.00022 DOI=10.3389/fphy.2014.00022 ISSN=2296-424X ABSTRACT=

We review recent advances on the mesoscopic modeling of water-like fluids, based on the lattice Boltzmann (LB) methodology. The main idea is to enrich the basic LB (hydro)-dynamics with angular degrees of freedom responding to suitable directional potentials between water-like molecules. The model is shown to reproduce some microscopic features of liquid water, such as an average number of hydrogen bonds per molecules (HBs) between 3 and 4, as well as a qualitatively correct statistics of the hydrogen bond angle as a function of the temperature. Future developments, based on the coupling the present water-like LB model with the dynamics of suspended bodies, such as biopolymers, may open new angles of attack to the simulation of complex biofluidic problems, such as protein folding and aggregation, and the motion of large biomolecules in complex cellular environments.