Literature DB >> 29741496

Do the contact angle and line tension of surface-attached droplets depend on the radius of curvature?

Subir K Das1, Sergei A Egorov, Peter Virnau, David Winter, Kurt Binder.   

Abstract

Results from Monte Carlo simulations of wall-attached droplets in the three-dimensional Ising lattice gas model and in a symmetric binary Lennard-Jones fluid, confined by antisymmetric walls, are analyzed, with the aim to estimate the dependence of the contact angle [Formula: see text] on the droplet radius [Formula: see text] of curvature. Sphere-cap shape of the wall-attached droplets is assumed throughout. An approach, based purely on 'thermodynamic' observables, e.g. chemical potential, excess density due to the droplet, etc, is used, to avoid ambiguities in the decision which particles belong (or do not belong, respectively) to the droplet. It is found that the results are compatible with a variation [Formula: see text], [Formula: see text] being the contact angle in the thermodynamic limit ([Formula: see text]). The possibility to use such results to estimate the excess free energy related to the contact line of the droplet, namely the line tension, at the wall, is discussed. Various problems that hamper this approach and were not fully recognized in previous attempts to extract the line tension are identified. It is also found that the dependence of wall tensions on the difference of chemical potential of the droplet from that at the bulk coexistence provides effectively a change of the contact angle of similar magnitude. The simulation approach yields precise estimates for the excess density due to wall-attached droplets and the corresponding free energy excess, relative to a system without a droplet at the same chemical potential. It is shown that this information suffices to estimate nucleation barriers, not affected by ambiguities on droplet shape, contact angle and line tension.

Year:  2018        PMID: 29741496     DOI: 10.1088/1361-648X/aac363

Source DB:  PubMed          Journal:  J Phys Condens Matter        ISSN: 0953-8984            Impact factor:   2.333


  1 in total

1.  Entropy Contribution to the Line Tension: Insights from Polymer Physics, Water String Theory, and the Three-Phase Tension.

Authors:  Edward Bormashenko
Journal:  Entropy (Basel)       Date:  2018-09-16       Impact factor: 2.524

  1 in total

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