Structure of molten iron chloride: Neutron scattering and modeling

Journal Article · Fri May 01 04:00:00 EDT 1998 · Physical Review, B: Condensed Matter

DOI:https://doi.org/10.1103/PhysRevB.57.10496· OSTI ID:627833

Price, D L; Saboungi, M; Badyal, Y S ^[1]; Wang, J; Moss, S C ^[2]; Leheny, R L ^[3]

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1. Argonne National Laboratory, Argonne, Illinois60439 (United States)
2. University of Houston, Houston, Texas77204 (United States)
3. University of Chicago, Chicago, Illinois60637 (United States)

Neutron-diffraction measurements of molten FeCl{sub 3}, combined with model calculations and computer simulations, show that on melting the local structure of Fe changes from an octahedral to a tetrahedral environment. A similar change is observed in AlCl{sub 3}, in contrast to YCl{sub 3}, for example, where the octahedral coordination of Y is preserved on melting. The local structure of the liquid can be described in terms of Fe{sub 2}Cl{sub 6} molecular units, similar to those observed in the vapor phase but with strong intermolecular interactions. Detailed information about the orientational correlations between molecules is derived from the simulations and compared with recent results on another molecular liquid, propylene glycol. {copyright} {ital 1998} {ital The American Physical Society}

• OSTI ID: 627833
• Journal Information: Physical Review, B: Condensed Matter, Journal Name: Physical Review, B: Condensed Matter Journal Issue: 17 Vol. 57; ISSN PRBMDO; ISSN 0163-1829
• Country of Publication: United States
• Language: English

Related Subjects

66 PHYSICS
CORRELATIONS
IRON CHLORIDES
LIQUIDS
MELTING
MOLTEN SALTS
NEUTRON DIFFRACTION
ORIENTATION
STRUCTURE FACTORS