全部 标题 作者
关键词 摘要

OALib Journal期刊
ISSN: 2333-9721
费用:99美元

查看量下载量

相关文章

更多...

Lattice Boltzmann modeling of water-like fluids

DOI: 10.3389/fphy.2014.00022

Keywords: water models, lattice boltzmann method, hydrogen bonds, energy minimization, mesoscopic models

Full-Text   Cite this paper   Add to My Lib

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.

Full-Text

comments powered by Disqus

Contact Us

service@oalib.com

QQ:3279437679

WhatsApp +8615387084133

WeChat 1538708413