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Structure and properties of the hydroxonium ion
Chemical Physics Letters ( IF 2.8 ) Pub Date : 2024-11-07 , DOI: 10.1016/j.cplett.2024.141743
Nikolay P. Malomuzh, Oleksii Khorolskyi
Chemical Physics Letters ( IF 2.8 ) Pub Date : 2024-11-07 , DOI: 10.1016/j.cplett.2024.141743
Nikolay P. Malomuzh, Oleksii Khorolskyi
Our paper is devoted to the study of the structure of the hydroxonium ion, its thermal drift and electrical conductivity in pure water. The qualitative analysis is based on the special model of a water molecule. This approach first of all is applied to the modeling of structure of hydroxonium ion. It had been shown that 1) the modeling values of the geometrical parameters for the hydroxonium ion are in quite satisfactory agreement with those obtained by different experimental methods; 2) the temperature dependence for the effective radius of the hydroxonium ion in liquid water is discussed; 3) the principally important influence of the hexagonal ice nuclei on the mobility of hydroxonium ion near the triple point of water is considered and stressed; 4) the temperature dependence of the fraction volume for nuclei having the structure of the hexagonal ice is determined. The proposed model of the hydroxonium ion describes its thermal drift and the electrical conductivity of pure water with satisfactory accuracy.
中文翻译:
氢氧鎓离子的结构和性质
我们的论文致力于研究纯水中异氧离子的结构、热漂移和电导率。定性分析基于水分子的特殊模型。该方法首先应用于 Hydroxonium 离子的结构建模。结果表明:1)异氮离子的几何参数建模值与通过不同实验方法获得的建模值相当令人满意;2)讨论了液态水中 Hydroxonium 离子有效半径的温度依赖性;3) 考虑并强调了六方冰核对水三相点附近氢锵离子迁移率的主要重要影响;4) 确定具有六方冰结构的原子核的馏分体积的温度依赖性。所提出的氢氧离子模型以令人满意的精度描述了其热漂移和纯水的电导率。
更新日期:2024-11-07
中文翻译:
![](https://scdn.x-mol.com/jcss/images/paperTranslation.png)
氢氧鎓离子的结构和性质
我们的论文致力于研究纯水中异氧离子的结构、热漂移和电导率。定性分析基于水分子的特殊模型。该方法首先应用于 Hydroxonium 离子的结构建模。结果表明:1)异氮离子的几何参数建模值与通过不同实验方法获得的建模值相当令人满意;2)讨论了液态水中 Hydroxonium 离子有效半径的温度依赖性;3) 考虑并强调了六方冰核对水三相点附近氢锵离子迁移率的主要重要影响;4) 确定具有六方冰结构的原子核的馏分体积的温度依赖性。所提出的氢氧离子模型以令人满意的精度描述了其热漂移和纯水的电导率。