Molecular features of the air/carbonate solution interface
作者： Hao Du , Jin Liu , Orhan Ozdemir , Anh V Nguyen , Jan D Miller
DOI: 10.1016/J.JCIS.2007.09.097
关键词: Chemistry 、 Ion 、 Carbonate 、 Salt (chemistry) 、 Inorganic chemistry 、 Infrared spectroscopy 、 Sodium carbonate 、 Surface tension 、 Bicarbonate 、 Molecular dynamics 、 Analytical chemistry
摘要: The nature of the air/carbonate solution interface is considered with respect to water structure by sum-frequency vibrational spectroscopy (SFVS) and molecular dynamics simulations (MDS). Results from this study provide further understating regarding previous observations that surface tensions making sodium carbonate solutions have been shown be significantly greater than breaking bicarbonate at equivalent concentrations. This difference in tension its variation salt concentration related organization ions air/solution interface. Spectral results SFVS show concentrations that, for solution, strong signal 3200 cm−1 increased a factor 4 when compared same air/bicarbonate interface, which spectrum weaker air/water absence salt. These are explained MDS case excluded interfacial region extended depth. On other hand, solutions, accommodated there no evidence an increase extent structure. experimental MD simulation information understand phenomena soluble salts level.
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