Salting-in/Salting-out Mechanism of Carbon Dioxide in Aqueous Electrolyte Solutions  

二氧化碳在电解质溶液中的盐溶盐析机制

作　　者：张霞 张璐[2] 金坦 潘志君 陈浙宁 张强 庄巍 

机构地区：[1]渤海大学化学化工学院学院,锦州121013 [2]中国科学院福建物质结均研究所结构化学国家重点实验室,福州350002

出　　处：《Chinese Journal of Chemical Physics》2017年第6期811-816,I0003,共7页化学物理学报（英文）

摘　　要：The solvation of carbon dioxide in sea water plays an important role in the carbon circle and the world climate. The salting-out/salting-in mechanism of CO2 in electrolyte solutions still remains elusive at molecule level. The ability of ion salting-out/salting-in CO2 in electrolyte solution follows Hofmeister Series and the change of water mobility induced by salts can be predicted by the viscosity B-coefficients. In this work, the chemical potential of carbon dioxide and the dynamic properties of water in aqueous NaCl, KF and NaClO4 solutions are calculated and analyzed. According to the viscosity B-coefficients, NaClO4 （0.012） should salt out the carbon dioxide relative to in pure water, but the opposite effect is observed for it. Our simulation results suggest that the salting-in effect of NaClO4 is due to the strongly direct anion-CO2 interaction. The inconsistency between＂ Hofmeister Series and the viscosity B-coefficient suggests that it is not always right to indicate whether a salt belongs to salting-in or salting-out just from these properties of the salt solution in the absence of solute.

关 键 词：Salting effect Viscosity B-coefficient Hofmeister Series Water dynamics 

分 类 号：O[理学]