Journal
JOURNAL OF PHYSICAL CHEMISTRY B
Volume 121, Issue 15, Pages 3798-3803Publisher
AMER CHEMICAL SOC
DOI: 10.1021/acs.jpcb.6b12437
Keywords
-
Categories
Funding
- Austrian Science Foundation (FWF) within the SFB Vienna Computational Materials Laboratory (Vicom) [F41]
- ETN-COLLDENSE (H2020-MCSA-ITN) [642774]
Ask authors/readers for more resources
The long-range contribution to, dispersion forces is known to have a major impact on the properties of inhomogeneous fluids, and its correct treatment is increasingly recognized as being a necessary requirement to avoid cutoff related artifacts. Although analytical corrections for quantities like the surface tension are known, these cannot take into account the structural changes induced by the long-range contributions. Here, we analyze the interfacial properties of seven popular water models, comparing the results with the cutoff version of the dispersion potential. The differences in surface tension estimates are in all cases found to be less than 2 mN/m.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available