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Prediction of Thermodynamic Properties of Ni2+, Co2+, Cu2+ Electrolyte Solutions by eMIVM-ET

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Abstract

In this work, the electrolyte molecular interaction volume model (eMIVM) and the optimized model (eMIVM-ET) were used to fit the activity coefficients and osmotic coefficients of 47 single electrolyte solutions containing Ni2+, Co2+ and Cu2+, respectively, and the activity coefficients and osmotic coefficients of 10 two electrolyte solutions containing Ni2+, Co2+ and Cu2+ were predicted. The results indicate that the average deviation and average relative error fitted by the two models are: the activity coefficients of eMIVM are 0.0548 and 7.22%, the osmotic coefficients are 0.0307 and 5.06%, the activity coefficients of eMIVM-ET are 0.0326 and 3.78%, and the osmotic coefficients are 0.0276 and 4.73%, respectively; the average deviation and relative error predicted by the two models are: the activity coefficients of eMIVM are 0.2331 and 41.64% , the osmotic coefficients are 0.2590 and 21.1%, the activity coefficients of eMIVM-ET are 0.1340 and 24.88%, and the osmotic coefficients are 0.1139 and 9.11% respectively. This shows that the prediction effect of eMIVM-ET is better than that of eMIVM, so eMIVM-ET can be used as an alternative thermodynamic prediction model.

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Abbreviations

\(i\) :

The component of the electrolyte solution

\(*\) :

Represents asymmetry

\(x_{i}\) :

The mole fraction of the component

\(A_{\phi }\) :

Debye-Hückel parameter

\(M_{s}\) :

Molecular weight of solvent

\(\rho\) :

Nearest distance parameter

\(I_{x}\) :

Ionic strength

\(z_{i}\) :

Charge number of the ion

\(\gamma_{ \pm }^{ * }\) :

Average activity coefficient in mole fraction

\(r_{i}\) :

Radius of the ion in the solution(nm)

\(\gamma_{ \pm m}^{ * }\) :

Average activity coefficient in mass molar concentration

S D :

Deviation of the system

ARD :

Relative error of the system (%)

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Acknowledgements

This work was supported by the National Science Foundation of China (No.51464022)

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Authors and Affiliations

  1. Faculty of Metallurgical and Energy Engineering, Kunming University of Science and Technology, Kunming, 650093, Yunnan, China

    Shijie Zheng, Chenchen Xu, Yi Lu & Dongping Tao

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  1. Shijie Zheng
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  2. Chenchen Xu
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  3. Yi Lu
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  4. Dongping Tao
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Contributions

SZ participated in all the work of the whole thesis CX participated in the model optimization work YL participated in the mapping work of Figs.1–4. DT participated in the guidance of this research.

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Correspondence to Dongping Tao.

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Zheng, S., Xu, C., Lu, Y. et al. Prediction of Thermodynamic Properties of Ni2+, Co2+, Cu2+ Electrolyte Solutions by eMIVM-ET. J Solution Chem 52, 1273–1288 (2023). https://doi.org/10.1007/s10953-023-01315-x

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