Release Time:2019-03-09  Hits:

Indexed by: Journal Article

Date of Publication: 2012-10-01

Journal: MICRO & NANO LETTERS

Included Journals: Scopus、EI、SCIE

Volume: 7

Issue: 10

Page Number: 1001-1004

ISSN: 1750-0443

Abstract: Molecular dynamics simulation method has been used in this Letter to investigate the behaviour of the charged nanodroplet in electrospray ionisation (ESI). The results indicate that: (i) two metastable states of the charged droplet exist after initial fierce fission because of over-charged condition in nitrogen atmosphere; (ii) nitrogen atmosphere accelerates the desolvation procedure, but it cannot lead to complete desolvation; therefore the methods of increasing the gas pressure, relative gas molecular mass and temperature are still needed; (iii) coexistence-area exists in the periphery of the droplet. The value 0.298 was applied to determine the liquid-vapour interface, exceeding which atoms with a local density were assigned to the liquid phase, and then the radius of the droplet was derived.