Literature DB >> 25956081

Communication: Tolman length and rigidity constants of water and their role in nucleation.

Øivind Wilhelmsen1, Dick Bedeaux1, David Reguera2.   

Abstract

A proper understanding of nucleation is crucial in several natural and industrial processes. However, accurate quantitative predictions of this phenomenon have not been possible. The most popular tool for calculating nucleation rates, classical nucleation theory (CNT), deviates by orders of magnitude from experiments for most substances. We investigate whether part of this discrepancy can be accounted for by the curvature-dependence of the surface tension. To that end, we evaluate the leading order corrections for water, the Tolman length and the rigidity constants, using square gradient theory coupled with the accurate cubic plus association equation of state. The Helfrich expansion is then used to incorporate them into the CNT-framework. For water condensation, the modified framework successfully corrects the erroneous temperature dependence of the nucleation rates given by the classical theory and reproduces experimental nucleation rates.

Entities:  

Year:  2015        PMID: 25956081     DOI: 10.1063/1.4919689

Source DB:  PubMed          Journal:  J Chem Phys        ISSN: 0021-9606            Impact factor:   3.488


  2 in total

1.  The Soret coefficient from the Faxén theorem for a particle moving in a fluid under a temperature gradient.

Authors:  Andrés Arango-Restrepo; J Miguel Rubi
Journal:  Eur Phys J E Soft Matter       Date:  2019-05-14       Impact factor: 1.890

2.  Molecular mechanism for cavitation in water under tension.

Authors:  Georg Menzl; Miguel A Gonzalez; Philipp Geiger; Frédéric Caupin; José L F Abascal; Chantal Valeriani; Christoph Dellago
Journal:  Proc Natl Acad Sci U S A       Date:  2016-11-01       Impact factor: 11.205

  2 in total

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