Abstract
The composition of outer drop layers has been
associated with distinct chemical reactivity. We
use atomistic modeling to examine how the
composition of the surface excess charge layer
(SECL) is related to the ejection mechanisms
of ions. Even though the drop disintegration
is inherently a non-equilibrium process we find
that the equilibrium ion distribution in SECL
predicts the ions that are ejected. The escape
of the ions in aqueous drops takes place from
conical protrusions that are global drop deformations and their appearance is independent of
the location of a single ion. Our results are consistent
with the equilibrium partition model, which associates the mass spectrum with the distribution of analytes in the drop’s double electric
layer. We present evidence that atomistic simulations of minute nano-drops cannot distinguish
Rayleigh fission from the ion evaporation mechanism.
Supplementary materials
Title
Ions-Supp-Archive-2
Description
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