ICCAS OpenIR
Differences of Cations and Anions: Their Hydration, Surface Adsorption, and Impact on Water Dynamics
Yang, Lijiang1; Fan, Yubo2; Gao, Yi Qin1
2011-11-03
Source PublicationJOURNAL OF PHYSICAL CHEMISTRY B
ISSN1520-6106
Volume115Issue:43Pages:12456-12465
AbstractThe higher tendency for anions to accumulate at the salt aqueous solution/air interface than that of cations has been observed experimentally and theoretically, suggesting that the size and polarizability of the ions play essential roles in this effect. Here, we investigate the influence of the nonsymmetrical positive-vs-negative charge distribution in water molecules to the hydration and surface/bulk partition of the solvated positively and negatively charged particles by using molecular dynamics simulations with hypothetical ions to validate our theoretical models. The results indicate that positive and negative charges (called cations and anions, respectively, although they may not really exist in experiments) with all other properties identical are hydrated differently and that the anions are more likely to populate at the surface. The simulation on a combination series of cations and anions in aqueous solution shows significant variations on water dynamics, likely due to the specific cooperativity between oppositely charged ions.
DOI10.1021/jp207652h
Indexed BySCI
Language英语
WOS IDWOS:000296169900016
PublisherAMER CHEMICAL SOC
Citation statistics
Cited Times:54[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.iccas.ac.cn/handle/121111/72694
Collection中国科学院化学研究所
Corresponding AuthorGao, Yi Qin
Affiliation1.Peking Univ, Beijing Natl Lab Mol Sci, Coll Chem & Mol Engn, Beijing 100871, Peoples R China
2.Methodist Hosp Res Inst, Weill Cornell Med Coll, Dept Syst Med & Bioengn, Houston, TX 77030 USA
Recommended Citation
GB/T 7714
Yang, Lijiang,Fan, Yubo,Gao, Yi Qin. Differences of Cations and Anions: Their Hydration, Surface Adsorption, and Impact on Water Dynamics[J]. JOURNAL OF PHYSICAL CHEMISTRY B,2011,115(43):12456-12465.
APA Yang, Lijiang,Fan, Yubo,&Gao, Yi Qin.(2011).Differences of Cations and Anions: Their Hydration, Surface Adsorption, and Impact on Water Dynamics.JOURNAL OF PHYSICAL CHEMISTRY B,115(43),12456-12465.
MLA Yang, Lijiang,et al."Differences of Cations and Anions: Their Hydration, Surface Adsorption, and Impact on Water Dynamics".JOURNAL OF PHYSICAL CHEMISTRY B 115.43(2011):12456-12465.
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