Liquid-to-Solid Phase Transition of a 1,3-Dimethylimidazolium Chloride Ionic Liquid Monolayer Confined between Graphite Walls

Molecular dynamics simulations were performed to study the phase behavior of a monolayer of room temperature ionic liquid 1,3-dimethylimidazolium chloride ([Dmim][Cl]) confined between two graphite walls at 425 K. These simulations predict a first-order freezing transition from a liquid monolayer to...

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Bibliographic Details
Published in:Journal of physical chemistry. C 2008-11, Vol.112 (47), p.18584-18587
Main Authors: Sha, Maolin, Wu, Guozhong, Fang, Haiping, Zhu, Guanglai, Liu, Yusheng
Format: Article
Language:English
Subjects:
C: Surfaces, Interfaces, Catalysis
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Summary:Molecular dynamics simulations were performed to study the phase behavior of a monolayer of room temperature ionic liquid 1,3-dimethylimidazolium chloride ([Dmim][Cl]) confined between two graphite walls at 425 K. These simulations predict a first-order freezing transition from a liquid monolayer to a solid monolayer induced by varying the distance between the parallel graphite walls (H = ∼0.65−0.95 nm). The resulting monolayer solid consisting of a hydrogen-bonded network structure is very different from bulk crystalline [Dmim][Cl]. The phase transition can be induced only at a molecular surface density of ρ = 1.9/nm2.
ISSN:1932-7447
1932-7455
DOI:10.1021/jp8079183