Quantitative link between single-particle dynamics and static structure of supercooled liquids. Academic Article

abstract

• We present evidence via molecular simulation that the supercooled fluid states of SPC/E water as well as the "repulsive" and "attractive" supercooled fluid states of a recently introduced model for colloids with short-ranged attractions are characterized by the same functional relationship between self-diffusivity and the pair correlation function. We discuss how this simple relationship connects to an earlier finding that the temperature dependency of a supercooled fluid's single-particle dynamics tracks that of its excess entropy (relative to ideal gas). The generality of this observed structure-property relationship is supported by its ability to successfully describe the nontrivial behaviors of these very different types of model systems.

authors

• Mittal, Jeetain

published proceedings

• J Phys Chem B

author list (cited authors)

• Mittal, J., Errington, J. R., & Truskett, T. M.

citation count

• 93

complete list of authors

• Mittal, Jeetain||Errington, Jeffrey R||Truskett, Thomas M

publication date

• September 2006

publisher

• American Chemical Society (ACS)  Publisher

published in

• The Journal of Physical Chemistry B: Biophysical Chemistry, Biomaterials, Liquids, and Soft Matter  Journal

keywords

• Chemistry, Physical
• Computer Simulation
• Computers
• Diffusion
• Molecular Conformation
• Physics
• Polymers
• Solvents
• Surface Properties
• Temperature
• Thermodynamics

PubMed Central ID

• 16970429

Digital Object Identifier (DOI)

• 10.1021/jp064816j

start page

• 18147

end page

• 18150

volume

• 110

issue

• 37

URL

• http://dx.doi.org/10.1021/jp064816j