ISIS Neutron and Muon Source Data Journal
This is a page describing data taken during an experiment at the ISIS Neutron and Muon Source. Information about the ISIS Neutron and Muon Source can be found at https://www.isis.stfc.ac.uk.
Structural analysis of multicomponent LiCl-MgCl2- D2O/H2O solutions
Abstract: We propose to conduct a neutron scattering investigation of the multicomponent LiCl-MgCl2-D2O/H2O aqueous system. The neutron scattering measurements will provide insights into the hydration shell of ions and the hydrogen bond network as a function of solution composition. Experiments are expected be conducted at the NIMROD (or SANDALS) diffractometer. Assisted by EPSR, the scattering data could provide the hydration structure of Mg2+(H2O)n, Li+(H2O)n and Cl-(H2O)n, also show the contact ion pairs (Mg2+...Cl-, Li+...Cl-) property in these aqueous solutions. These experiments will be complemented by ab initio and classical molecular dynamics simulations of LiCl-MgCl2-D2O/H2O to aid neutron scattering interpretation. This experiment-theory approach will link the atomistic processes to the conditions of solution composition affecting LiCl crystallization. Such knowledge will provide informed-based guidelines for selecting additives in the LiCl-MgCl2-H2O system that promote the separation and purification of LiCl, an important battery raw materials and chemical raw material. Insights gained by this study will also be applicable to the crystallization of other inorganic materials from multicomponent aqueous systems.
Experimenter: Dr Devis Di Tommaso
Experimenter: Mr Wuyang Lin
Experimenter: Dr Isaac Abrahams
Local Contact: Dr Tristan Youngs
Experimenter: Dr Fei Li
DOI: 10.5286/ISIS.E.RB2320065
ISIS Experiment Number: RB2320065
| Part DOI | Instrument | Public release date | Download Link |
|---|---|---|---|
| 10.5286/ISIS.E.RB2320065-1 | NIMROD | 26 September 2026 | Download |
Publisher: STFC ISIS Neutron and Muon Source
Data format: RAW/Nexus
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Data Citation
The recommended format for citing this dataset in a research
publication is as:
[author], [date], [title], [publisher],
[doi]
For Example:
Dr Devis Di Tommaso et al; (2023): Structural analysis of multicomponent LiCl-MgCl2- D2O/H2O solutions, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB2320065
Data is released under the CC-BY-4.0 license.
