Literature DB >> 24329270

Length-scale crossover of the hydrophobic interaction in a coarse-grained water model.

Aviel Chaimovich1, M Scott Shell1.   

Abstract

It has been difficult to establish a clear connection between the hydrophobic interaction among small molecules typically studied in molecular simulations (a weak, oscillatory force) and that found between large, macroscopic surfaces in experiments (a strong, monotonic force). Here, we show that both types of interaction can emerge with a simple, core-softened water model that captures water's unique pairwise structure. As in hydrophobic hydration, we find that the hydrophobic interaction manifests a length-scale dependence, exhibiting distinct driving forces in the molecular and macroscopic regimes. Moreover, the ability of this simple model to capture both regimes suggests that several features of the hydrophobic force can be understood merely through water's pair correlations.

Entities:  

Year:  2013        PMID: 24329270     DOI: 10.1103/PhysRevE.88.052313

Source DB:  PubMed          Journal:  Phys Rev E Stat Nonlin Soft Matter Phys        ISSN: 1539-3755


  2 in total

1.  Properties of a soft-core model of methanol: an integral equation theory and computer simulation study.

Authors:  Matej Huš; Gianmarco Munaò; Tomaz Urbic
Journal:  J Chem Phys       Date:  2014-10-28       Impact factor: 3.488

2.  Analytical theory of the hydrophobic effect of solutes in water.

Authors:  Tomaz Urbic; Ken A Dill
Journal:  Phys Rev E       Date:  2017-09-01       Impact factor: 2.529

  2 in total

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