Water nucleation in helium, methane, and argon: A molecular dynamics study

Abstract

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Carbon dioxide and propane nucleation: the emergence of a nucleation barrier

“…As discussed in our previous publications 28,30 and in the literature, 76,77,[80][81][82] the type of carrier gas might also have an influence on the nucleation rate. Dumitrescu et al 81 found better thermalization properties for CH 4 compared with Ar. This suggests that a higher CH 4 content would also lead to an increase in J.…”

Understanding vapor nucleation on the molecular level: A review

“…As MD uses force fields to describe atomic/molecular interactions, the mostly investigated nucleating species by MD are Lenard-Jones molecules, the simplicity of which help rule out complicating factors and speed up simulation (Angélil et al, 2014;Halonen et al, 2018;Napari et al, 2009;Salvalaglio, Tiwary, Maggioni, Mazzotti, & Parrinello, 2016;Tsai, Smith, & Tiwary, 2019;Zhukhovitskii, 2016). Another substance that has attracted a significant amount of attention is water (Angélil, Diemand, Tanaka, & Tanaka, 2015;Dumitrescu, Huinink, Smeulders, Dam, & Gaastra-Nedea, 2018;Dumitrescu, Smeulders, Dam, & Gaastra-Nedea, 2017;Duška, Němec, Hrubý, Vinš, & Planková, 2015;Matsubara et al, 2007;Tanaka, Kawano, & Tanaka, 2014;Yasuoka & Matsumoto, 1998b;Zipoli et al, 2013). Metal, binary and ternary nucleation systems have also been investigated by MD (Braun, Kalikmanov, & Kraska, 2014;Braun & Kraska, 2012;Lümmen & Kraska, 2006;Römer & Kraska, 2007).…”