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论文类型：期刊论文

发表时间：2012-10-01

发表刊物：MICRO & NANO LETTERS

收录刊物：SCIE、EI、Scopus

卷号：7

期号：10

页面范围：1001-1004

ISSN号：1750-0443

摘要：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.