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Thermodynamic and Kinetic Studies on the Conversion of Solvent-Shared to Contact Ion Pairs in Sparingly Soluble MF2 (M = Mg2+ and Ca2+) Aqueous Solutions: Implications for Understanding Supersaturated Behavior and Association Constant Determination

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成果类型:
期刊论文
作者:
Tang, Jianfeng;Luo, Qiongqiong;Zeng, Dewen;Zhang, Ning
通讯作者:
Zhang, N
作者机构:
[Tang, Jianfeng; Zhang, Ning] Cent South Univ Forestry & Technol, Coll Sci, Changsha 410004, Hunan, Peoples R China.
[Luo, Qiongqiong; Zeng, Dewen] Cent South Univ, Coll Chem & Chem Engn, Changsha 410083, Hunan, Peoples R China.
通讯机构:
[Zhang, N ] C
Cent South Univ Forestry & Technol, Coll Sci, Changsha 410004, Hunan, Peoples R China.
语种:
英文
期刊:
JOURNAL OF PHYSICAL CHEMISTRY B
ISSN:
1520-6106
年:
2022
卷:
126
期:
7
页码:
1566-1578
基金类别:
National Natural Science Foundation of ChinaNational Natural Science Foundation of China (NSFC) [51704338, 21776316]; Research Foundation of Education Bureau of Hunan Province, China [21B0271]; China Postdoctoral Science FoundationChina Postdoctoral Science Foundation [2018T110825]; Natural Science Foundation of Hunan Province, ChinaNatural Science Foundation of Hunan Province [2018JJ3883]
机构署名:
本校为第一且通讯机构
院系归属:
理学院
摘要:
The thermodynamic and kinetic behaviors of Mg(2+)-F(-) ion pairing in aqueous solution are investigated theoretically and experimentally and are contrasted to those of Ca(2+)-F(-). Thermodynamically, similar to CaF(x)(H(2)O)(14)(2-x) (x = 1 and 2), MgF(H(2)O)(y)(+) (y = 14-20) contact ion pairs (CIPs) are more stable than their solvent-shared ion pairs (SSIPs), whereas the CIPs and SSIPs of MF(2)(H(2)O)(y) are almost isoenergetic. However, in kinetics, the conversion of SSIPs to CIPs for M(2+)-F(-) (M = Mg(2+) and Ca(2+)) ion pairing must overcome a high energy barrier due to the strong hydrat...

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