Quantifying the Affinity Difference between Lithium and Close Identity Ions Using ETS-10 Titanosilicate,Industrial & Engineering Chemistry Research

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Quantifying the Affinity Difference between Lithium and Close Identity Ions Using ETS-10 Titanosilicate
Industrial & Engineering Chemistry Research ( IF 3.8 ) Pub Date : 2024-03-27 , DOI: 10.1021/acs.iecr.3c04321
Winters Kexi Guo ₁ , Emma Rosko ₁ , Grant Zeszutek ₁ , Uriahe DeVore ₁ , Xueyi Zhang ₁ , Michael J. Janik ₁ , Gina Noh ₁

Affiliation

The affinity difference between lithium and potassium ions for the adsorption to a titanosilicate adsorbent is quantified. Experimental and computational methods examine the thermodynamics of Na⁺–K⁺ and Na⁺–Li⁺ ion exchange from dilute aqueous solution using modified ETS-10 titanosilicate. Equilibrium uptake data were analyzed with a modified Langmuir isotherm that accounts for ion exchange involving the desorption of Na⁺ from the modified ETS-10 framework together with the adsorption of Li⁺ or K⁺ to the framework. The equilibrium constant for ion exchange of Na⁺ from the modified ETS-10 framework with K⁺ from aqueous solution is 6-fold greater than the equilibrium constant for Li⁺ exchange. This affinity difference is supported by density functional theory (DFT) calculations of ion affinity to the modified ETS-10 framework. Energy differences from DFT were interpreted using a thermochemical cycle to account for hydration and solvation of cations, thus enabling comparison between the experiment and theory. DFT-derived energy differences also revealed the binding affinity differences of the various sites of ETS-10 among Li⁺, Na⁺, and K⁺.

中文翻译：

使用 ETS-10 钛硅酸盐量化锂和相近同一离子之间的亲和力差异

对钛硅酸盐吸附剂吸附的锂离子和钾离子之间的亲和力差异进行了定量。实验和计算方法检查了使用改性 ETS-10 钛硅酸盐从稀水溶液中进行Na ⁺ –K ⁺和 Na ⁺ –Li ⁺离子交换的热力学。使用修正的朗缪尔等温线分析平衡吸收数据，该等温线解释了离子交换，涉及Na ⁺从修正的ETS-10框架的解吸以及Li ⁺或K ⁺到框架的吸附。改进的 ETS-10 框架中的Na ⁺与水溶液中的K ⁺离子交换的平衡常数比 Li ⁺交换的平衡常数大 6 倍。这种亲和力差异得到了对改进的 ETS-10 框架的离子亲和力的密度泛函理论 (DFT) 计算的支持。使用热化学循环来解释 DFT 的能量差异，以解释阳离子的水合和溶剂化，从而实现实验与理论之间的比较。 DFT 衍生的能量差异还揭示了 ETS-10 各个位点在 Li ⁺、Na ⁺和 K ⁺之间的结合亲和力差异。

更新日期：2024-03-27

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