Transient Violation of Le Chatelier’s Principle for a Network of Water Molecules

Pouria Dasmeh, D. Ajloo, D.J. Searles

Research output: Contribution to journalJournal articleResearchpeer-review

Abstract

For a process in a small chemical system observed for short periods of time, the probability that it proceeds in the opposite direction to that found in the thermodynamic limit can be significant. We demonstrate this using simulations of a hydrogenbonded network of water molecules whose temperature is changed from 300 K to 310 K. It is shown that for this system, and finite periods (up to tenths of picoseconds), the change during an individual observation period might be in either direction which satisfies the transient fluctuation theorem for a temperature change (Journal of Chemical Physics, 131, 214503 (2009)).
Keyword: Small systems,Fluctuation theorems,Le chatelier's principle,Hydrogen-bond dynamics
Original languageEnglish
JournalIranian Chemical Society. Journal
Volume8
Issue number2
Pages (from-to)424-432
ISSN1735-207X
Publication statusPublished - 2011
Externally publishedYes

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