4.5 Article

A two-parameter extension of classical nucleation theory

Journal

JOURNAL OF PHYSICS-CONDENSED MATTER
Volume 27, Issue 23, Pages -

Publisher

IOP PUBLISHING LTD
DOI: 10.1088/0953-8984/27/23/235101

Keywords

nucleation; classical nucleation theory; proteins; Fokker-Planck equation

Funding

  1. European Space Agency [ESA AO-2004-070]
  2. FNRS Belgium [C-Net NR/FVH 972]
  3. Spanish Ministry of Science and Innovation (MICINN), FPI grant [BES-2010-038422, AYA2009-10655]

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A two-variable stochastic model for diffusion-limited nucleation is developed using a formalism derived from fluctuating hydrodynamics. The model is a direct generalization of the standard classical nucleation theory (CNT). The nucleation rate and pathway are calculated in the weak-noise approximation and are shown to be in good agreement with direct numerical simulations for the weak-solution/strong-solution transition in globular proteins. We find that CNT underestimates the time needed for the formation of a critical cluster by two orders of magnitude and that this discrepancy is due to the more complex dynamics of the two variable model and not, as often is assumed, a result of errors in the estimation of the free energy barrier.

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