Thermodynamic description of the AgCl–CoCl2–InCl3–KCl system

Wang, Kun; Fei, Zejie; Wang, Jian; Wu, Zhu; Li, Chonghe; Xie, Lei

doi:10.1016/j.matchemphys.2015.07.017

Cited by 15 publications

(1 citation statement)

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“…The method of Davis , has recently seen increased use, − where, unfortunately, the minimum value for Δ mix H is often estimated to lie at the equimolar composition. As noted above, this is generally incorrect for charge-asymmetric pseudobinary salt systems as it is not the composition of maximum SRO, as demonstrated for the AkCl–CeCl 3 systems in Figure a.…”

Section: Resultsmentioning

confidence: 99%

Correlational Approach to Predict the Enthalpy of Mixing for Chloride Melt Systems

et al. 2021

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A methodology to estimate the heat of mixing (Δ mix H ) for salt liquids in unexplored AkCl–AnCl x /LnCl x (Ak = alkali, An = actinide, Ln = lanthanide) systems is developed. It improves upon previous empirical approaches by eliminating the need for arbitrarily choosing the required composition at maximum short-range ordering, the minimum Δ mix H prior to performing the estimation, which avoids the intrinsic ambiguity of that approach. This semiempirical method has computationally reproduced the behavior of NaCl–UCl 3 and KCl–UCl 3 systems, providing Δ mix H values that agree well with the reported measurements within a propagated two standard deviations (2σ). The capability of the approach is demonstrated in its application to the entirety of the AkCl–UCl 3 and AkCl–PuCl 3 systems, the results from which have facilitated the accurate thermodynamic modeling of these and other AkCl–AnCl 3 /LnCl 3 systems. The resultant assessed Gibbs energy functions and models have been incorporated in the Molten Salt Thermal Properties Database–Thermochemical (MSTDB-TC).

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