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dc.contributor.authorAKDENIZ, Z
dc.contributor.authorTOSI, MP
dc.contributor.authorPASTORE, G
dc.contributor.authorTATLIPINAR, H
dc.date.accessioned2021-03-03T08:00:33Z
dc.date.available2021-03-03T08:00:33Z
dc.date.issued1992
dc.identifier.citationTATLIPINAR H., AKDENIZ Z., PASTORE G., TOSI M., "ATOMIC SIZE EFFECTS ON LOCAL COORDINATION AND MEDIUM-RANGE ORDER IN MOLTEN TRIVALENT METAL CHLORIDES", JOURNAL OF PHYSICS-CONDENSED MATTER, cilt.4, sa.46, ss.8933-8944, 1992
dc.identifier.issn0953-8984
dc.identifier.otherav_15280967-bc7d-44df-b367-8aa26eb185e2
dc.identifier.othervv_1032021
dc.identifier.urihttp://hdl.handle.net/20.500.12627/19605
dc.identifier.urihttps://doi.org/10.1088/0953-8984/4/46/001
dc.description.abstractStructural correlations in molten trivalent metal chlorides are evaluated as functions of the metal ion size R(M) across the range from LaCl3(R(M) almost-equal-to 1.4 angstrom) to AlCl3 (R(M) almost-equal-to 0.8 angstrom,) using a charged soft-sphere model and the hypernetted chain approximation. Main attention is given to trends in the local liquid structure (partial radial distribution functions, coordination numbers and bond lengths) and in the intermediate-range order (first sharp diffraction peak in the number-number and partial structure factors). The trend towards fourfold local coordination of the metal ions, the stabilization of their first-neighbour chlorine cage and the growth of medium-range order are found to proceed in parallel as the size of the metal ion is allowed to decrease at constant number density and temperature. A tendency to molecular-type local structure and liquid-vapour phase separation is found within the hypernetted chain scheme at small metal ion sizes corresponding to AlCl3 and is emphasized by decreasing the number density of the fluid. The predicted molecular units are rather strongly distorted Al2Cl6 dimers, in agreement with observation. The calculated structural trends for other trichlorides are compared with diffraction and transport data.
dc.language.isoeng
dc.subjectTemel Bilimler (SCI)
dc.subjectYoğun Madde 1:Yapısal, Mekanik ve Termal Özellikler
dc.subjectFİZİK, YOĞUN MADDE
dc.subjectFizik
dc.subjectTemel Bilimler
dc.titleATOMIC SIZE EFFECTS ON LOCAL COORDINATION AND MEDIUM-RANGE ORDER IN MOLTEN TRIVALENT METAL CHLORIDES
dc.typeMakale
dc.relation.journalJOURNAL OF PHYSICS-CONDENSED MATTER
dc.contributor.department, ,
dc.identifier.volume4
dc.identifier.issue46
dc.identifier.startpage8933
dc.identifier.endpage8944
dc.contributor.firstauthorID113849


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