Literature DB >> 20366110

Monte Carlo test of the classical theory for heterogeneous nucleation barriers.

David Winter1, Peter Virnau, K Binder.   

Abstract

Flat walls facilitate the condensation of a supersaturated vapor: classical theory of heterogeneous nucleation predicts that the free energy barrier DeltaF(het)*, which needs to be overcome for the formation of sphere-cap-shaped nucleation seeds, is smaller than the barrier DeltaF(hom)* for spherical droplets in the bulk by a factor 0 < f(theta) < 1, which only depends on the contact angle theta. In this Letter, we compute both DeltaF(hom)* and DeltaF(het)* from Monte Carlo simulations and test the theory for the lattice gas model (for which theta can be readily controlled). Even though the theory is only based on macroscopic arguments, it is shown to hold for experimentally relevant nanoscopic nucleation seeds (20 < or = DeltaF(hom)*/k(B)T < or = 200) if (independently estimated) line tension effects are considered.

Year:  2009        PMID: 20366110     DOI: 10.1103/PhysRevLett.103.225703

Source DB:  PubMed          Journal:  Phys Rev Lett        ISSN: 0031-9007            Impact factor:   9.161


  8 in total

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3.  Anisotropy of local stress tensor leads to line tension.

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Journal:  Sci Rep       Date:  2015-04-02       Impact factor: 4.379

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Journal:  Sci Rep       Date:  2013       Impact factor: 4.379

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Journal:  Sci Rep       Date:  2015-12-14       Impact factor: 4.379

8.  Microscopic Mechanism and Kinetics of Ice Formation at Complex Interfaces: Zooming in on Kaolinite.

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Journal:  J Phys Chem Lett       Date:  2016-06-10       Impact factor: 6.475

  8 in total

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