| 二氧化碳在电解质溶液中的盐溶盐析机制 |
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| 引用本文： | 张霞,张璐,金坦,潘志君,陈浙宁,张强,庄巍.二氧化碳在电解质溶液中的盐溶盐析机制[J].化学物理学报,2017,30(6):811-816. |
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| 作者姓名： | 张霞 张璐 金坦 潘志君 陈浙宁 张强 庄巍 |
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| 作者单位： | 渤海大学化学化工学院学院, 锦州 121013,中国科学院福建物质结构研究所, 结构化学国家重点实验室, 福州 350002,中国科学院福建物质结构研究所, 结构化学国家重点实验室, 福州 350002,中国科学院福建物质结构研究所, 结构化学国家重点实验室, 福州 350002,中国科学院福建物质结构研究所, 结构化学国家重点实验室, 福州 350002,渤海大学化学化工学院学院, 锦州 121013,中国科学院福建物质结构研究所, 结构化学国家重点实验室, 福州 350002 |
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| 基金项目： | This work was supported by the National Key Research and Development Program of China (No.2017YFA0206801), the Strategic Priority Research Program of the Chinese Academy of Sciences (No.XDB20000000 and No.XDB10040304) and the National Natural Science Foundation of China (No.21373201 and No.21433014). Q. Zhang thanks the support of Scientific Research Foundation for Returned Scholars, Ministry of Education of China and Liaoning BaiQianWan Talents Program (No.2015-294). |
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| 摘 要： |
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| 收稿时间： | 2017/11/27 0:00:00 |
| 修稿时间： | 2017/12/27 0:00:00 |
Salting-in/Salting-out Mechanism of Carbon Dioxide in Aqueous Electrolyte Solutions |
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| Xia Zhang,Lu Zhang,Tan Jin,Zhi-jun Pan,Zhe-ning Chen,Qiang Zhang and Wei Zhuang.Salting-in/Salting-out Mechanism of Carbon Dioxide in Aqueous Electrolyte Solutions[J].Chinese Journal of Chemical Physics,2017,30(6):811-816. |
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| Authors: | Xia Zhang Lu Zhang Tan Jin Zhi-jun Pan Zhe-ning Chen Qiang Zhang and Wei Zhuang |
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| Affiliation: | Department of Chemistry, Bohai University, Jinzhou 121013, China,State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou 350002, China,State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou 350002, China,State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou 350002, China,State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou 350002, China,Department of Chemistry, Bohai University, Jinzhou 121013, China and State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou 350002, China |
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| Abstract: | 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. |
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| Keywords: | Salting effect Viscosity B-coefficient Hofmeister Series Water dynamics |
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