1. A multivariate approach at the thermodynamic properties of rare earth elements
- Author
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Marcos A. Villetti, Rafael Duarte, Hercules Abie Pereira, Maurício Hilgemann, Lucas Mironuk Frescura, Marcelo Barcellos da Rosa, and Bryan Brumelhaus de Menezes
- Subjects
Lanthanide contraction ,Multivariate statistics ,Ionic radius ,Chemistry ,Rare earth ,Analytical chemistry ,02 engineering and technology ,021001 nanoscience & nanotechnology ,Condensed Matter Physics ,01 natural sciences ,010406 physical chemistry ,0104 chemical sciences ,Principal component analysis ,Physical and Theoretical Chemistry ,Multivariate statistical ,0210 nano-technology ,Instrumentation ,Relevant information - Abstract
Rare earth elements (REE) are classified as light and heavy and present the lanthanide contraction effect, which keeps ionic radius and ΔfH° values between REE very close. Many information on thermodynamic parameters such as ΔfH°, ΔfS°, ΔfG° and S° of REE compounds have been reported in recent decades. To obtain a consistent mathematical interpretation of these data, a multivariate statistical study was performed using Hierarchical Cluster Analysis (HCA) and Principal Component Analysis (PCA) to compile and compare relevant information about the thermodynamic properties of REE. The PCA identified four distinct groups of linkers: halides, oxyanions, REE3+ hydrate group and REE2+ halides group. Analysis of HCA performed with the values of ΔfH°, ΔfS°, ΔfG° and S°, separated the compounds (REE)FeO3, (REE)PO4, (REE)2O3, (REE)O2, (REE)2O2CO3 II, (REE)2Zr2O7 and REE(OH)3, according to their molecular characteristics. Due to the greater influence of ΔfH° in relation to the other parameters, an HCA considered only ΔfH° was performed, classifying REE into three groups, Eu, LREE and HREE. Therefore, this work shows how multivariate statistical tools can help us to better understand the thermodynamics of REE.
- Published
- 2019
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