X-ray scattering reveals ion clustering of dilute chromium species in molten chloride medium.

ABSTRACT: Enhancing the solar energy storage and power delivery afforded by emerging molten salt-based technologies requires a fundamental understanding of the complex interplay between structure and dynamics of the ions in the high-temperature media. Here we report results from a comprehensive study integrating synchrotron X-ray scattering experiments, ab initio molecular dynamics simulations and rate theory concepts to investigate the behavior of dilute Cr³⁺ metal ions in a molten KCl-MgCl₂ salt. Our analysis of experimental results assisted by a hybrid transition state-Marcus theory model reveals unexpected clustering of chromium species leading to the formation of persistent octahedral Cr-Cr dimers in the high-temperature low Cr³⁺ concentration melt. Furth

SUBMITTER: Roy S 

PROVIDER: S-EPMC8208131 | biostudies-literature | 2021 May

REPOSITORIES: biostudies-literature