期刊
JOURNAL OF PHYSICAL CHEMISTRY C
卷 112, 期 47, 页码 18584-18587出版社
AMER CHEMICAL SOC
DOI: 10.1021/jp8079183
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资金
- National Science Foundations of China [20573130, 20673137]
- Shanghai Municipal Committee of Science and Technology
- Shanghai Supercomputer Center of China
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 = similar to 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 rho = 1.9/nM(2).
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