Complex Structure of Molten NaCl–CrCl<sub>3</sub> Salt: Cr–Cl Octahedral Network and Intermediate-Range Order
نویسندگان
چکیده
The resurgence of the molten-salt nuclear reactors (MSRs) creates interesting problems in chemistry. As MSRs operate, composition and physical properties salts change because fission corrosion. Since Cr is principal corrosion product NaCl a common constituent, we studied atomic structure molten NaCl–CrCl3. We found networks CrCl63– octahedra an intermediate-range order with nonmonotonic temperature behavior remarkable agreement between measurements ab initio simulations. Even though results minute quantities dissolved Cr, speciation could lead to changes solar salts. In particular, much lower melting than expected broad metastable liquid–solid coexistence phase. availability isotopes very different neutron scattering makes ideal model multivalent ion for experimental validation new atomistic models such as neural network interatomic potentials.
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ژورنال
عنوان ژورنال: ACS applied energy materials
سال: 2021
ISSN: ['2574-0962']
DOI: https://doi.org/10.1021/acsaem.0c02678