Journal article
Pore emptying transition during nucleation in hydrophobic nanopores
- Abstract:
- Using the 2D Ising model we study the generic properties of nucleation in hydrophobic nanopores. To explore the pathways to nucleation of a spin-up phase from a metastable spin-down phase we perform umbrella sampling and transition path sampling simulations. We find that for narrow pores the nucleation occurs on the surface outside the pore. For wide pores the nucleation starts in the pore, and continues outside the filled pore. Intriguingly, we observe a pore emptying transition for a range of intermediate pore widths: a pre-critical nucleus fills the pore, continues to expand outside of the filled pore, but then suddenly gets expelled from the pore before reaching its critical size.
- Publication status:
- Published
- Peer review status:
- Peer reviewed
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Access Document
- Files:
-
-
(Preview, Accepted manuscript, pdf, 3.6MB, Terms of use)
-
- Publisher copy:
- 10.1039/c6sm00148c
Authors
- Publisher:
- Royal Society of Chemistry
- Journal:
- Soft Matter More from this journal
- Volume:
- 12
- Issue:
- 16
- Pages:
- 3810-3819
- Publication date:
- 2016-03-11
- Acceptance date:
- 2016-03-10
- DOI:
- EISSN:
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1744-6848
- ISSN:
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1744-683X
- Language:
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English
- Keywords:
- Pubs id:
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pubs:611775
- UUID:
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uuid:71f6ac29-c62f-41ce-bccb-793cc3007940
- Local pid:
-
pubs:611775
- Source identifiers:
-
611775
- Deposit date:
-
2016-05-20
Terms of use
- Copyright holder:
- The Royal Society of Chemistry
- Copyright date:
- 2016
- Notes:
-
This is the
accepted manuscript of a journal article published by The Royal Society of Chemistry in Soft Matter on 2016-03-10, available online: http://dx.doi.org/10.1039/c6sm00148c
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