Abstract
Assessing lifetimes of liquid’s local structures could bring impactful output. For example, the key transport properties of ionic liquids are governed by local structure dynamics to a large extent. Due to long-range Coulomb interactions, these systems show pronounced charge ordering. In this case, the local structure breaking rate could be described in terms of cation–anion pair lifetimes. Conventional pair lifetime analysis relies on geometrical criterion, defining the maximum distance from cation to anion in pair. In this study, we argue towards additional restriction to ensure pair stability. Based on vibrational properties, we introduce lower boundary for pair lifetime to exclude false pair recognition in the case of collision-like interaction. Also, we put forward a computational algorithm which allows obtaining both mean lifetime and lifetime distribution. The calculations of mean pair lifetimes in molten alkali halides support our reasoning.
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