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Where Do the Ions Reside in a Highly Charged Droplet?
Victor Kwan1, Anatoly Malevanets2, Styliani Consta1
1Department of Chemistry , The University of Western Ontario , London N6A 5B7 , Ontario , Canada.
The Journal of Physical Chemistry. A
|October 8, 2019
Summary
Charged nanodrops exhibit higher ion concentrations in outer shells, decreasing towards the center and vapor interface. This ion distribution impacts droplet chemistry and electrospray ionization mass spectrometry.
Area of Science:
- Physical Chemistry
- Chemical Physics
- Atmospheric Chemistry
Background:
- Aqueous droplets in aerosols carry charge from ionic species.
- Understanding ion distribution is crucial for aerosol and electrospray processes.
Purpose of the Study:
- To investigate ion spatial distribution and surface electric fields in charged nanodrops.
- To elucidate the behavior of ions and charged peptides within nanoscopic droplets.
Main Methods:
- Atomistic modeling and analytical theory were employed.
- Multipole expansion was used to compute electric potential and field.
- The Born model was applied to analyze ion evaporation.
Main Results:
- Simple ions concentrate in outer droplet shells, decreasing towards the center and vapor interface.
- Charged peptides reside primarily in the droplet interior, with some near the surface.
- Fluctuations in the electric field's normal component are significant for ion evaporation.
Conclusions:
- Ion distribution in charged nanodrops is governed by droplet interface fluctuations, charge screening, and ion size.
- Findings offer insights into droplet chemistry and electrospray ionization mass spectrometry.
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