Ion Association in Lanthanide Chloride Solutions.

ABSTRACT: A better understanding of the solution chemistry of the lanthanide (Ln) salts in water would have wide ranging implications in materials processing, waste management, element tracing, medicine and many more fields. This is particularly true for minerals processing, given governmental concerns about lanthanide security of supply and the drive to identify environmentally sustainable processing routes. Despite much effort, even in simple systems, the mechanisms and thermodynamics of Ln^III association with small anions remain unclear. In the present study, molecular dynamics (MD), using a newly developed force field, provide new insights into LnCl₃ (aq) solutions. The force field accurately reproduces the structure and dynamics of Nd³⁺ , Gd³⁺ and Er<

SUBMITTER: Finney AR 

PROVIDER: S-EPMC6619345 | biostudies-literature | 2019 Jul

REPOSITORIES: biostudies-literature