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Title: Antimonate and arsenate speciation on reactive soil minerals studied by differential pair distribution function analysis

Authors:
;
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1358932
Grant/Contract Number:
AC02-06CH11357
Resource Type:
Journal Article: Publisher's Accepted Manuscript
Journal Name:
Chemical Geology
Additional Journal Information:
Journal Volume: 429; Journal Issue: C; Related Information: CHORUS Timestamp: 2017-10-03 21:36:01; Journal ID: ISSN 0009-2541
Publisher:
Elsevier
Country of Publication:
Netherlands
Language:
English

Citation Formats

van Genuchten, Case M., and Peña, Jasquelin. Antimonate and arsenate speciation on reactive soil minerals studied by differential pair distribution function analysis. Netherlands: N. p., 2016. Web. doi:10.1016/j.chemgeo.2016.03.001.
van Genuchten, Case M., & Peña, Jasquelin. Antimonate and arsenate speciation on reactive soil minerals studied by differential pair distribution function analysis. Netherlands. doi:10.1016/j.chemgeo.2016.03.001.
van Genuchten, Case M., and Peña, Jasquelin. 2016. "Antimonate and arsenate speciation on reactive soil minerals studied by differential pair distribution function analysis". Netherlands. doi:10.1016/j.chemgeo.2016.03.001.
@article{osti_1358932,
title = {Antimonate and arsenate speciation on reactive soil minerals studied by differential pair distribution function analysis},
author = {van Genuchten, Case M. and Peña, Jasquelin},
abstractNote = {},
doi = {10.1016/j.chemgeo.2016.03.001},
journal = {Chemical Geology},
number = C,
volume = 429,
place = {Netherlands},
year = 2016,
month = 7
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record at 10.1016/j.chemgeo.2016.03.001

Citation Metrics:
Cited by: 1work
Citation information provided by
Web of Science

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  • Differential pair distribution function (d-PDF) analysis of high energy powder X-ray diffraction data was carried out on 2-line ferrihydrite nanoparticles with arsenate oxyanions adsorbed on the surface to investigate the binding mechanism. In this analysis, a PDF of ferrihydrite is subtracted from a PDF of ferrihydrite with arsenate sorbed on the surface, leaving only correlations from within the surface layer and between the surface and the particle. As-O and As-Fe correlations were observed at 1.68 and 3.29 {angstrom}, respectively, in good agreement with previously published EXAFS data, confirming a bidentate binuclear binding mechanism. Further peaks are observed in the d-PDFmore » which are not present in EXAFS, corresponding to correlations between As and O in the particle and As-2nd Fe.« less
  • Structural information is important for understanding surface adsorption mechanisms of contaminants on metal (hydr)oxides. In this work, a novel technique was employed to study the interfacial structure of arsenate oxyanions adsorbed on {gamma}-alumina nanoparticles, namely, differential pair distribution function (d-PDF) analysis of synchrotron X-ray total scattering. The d-PDF is the difference of properly normalized PDFs obtained for samples with and without arsenate adsorbed, otherwise identically prepared. The real space pattern contains information on atomic pair correlations between adsorbed arsenate and the atoms on {gamma}-alumina surface (Al, O, etc.). PDF results on the arsenate adsorption sample on {gamma}-alumina prepared at 1more » mM As concentration and pH 5 revealed two peaks at 1.66 {angstrom} and 3.09 {angstrom}, corresponding to As-O and As-Al atomic pair correlations. This observation is consistent with those measured by extended X-ray absorption fine structure (EXAFS) spectroscopy, which suggests a first shell of As-O at 1.69 {+-} 0.01 {angstrom} with a coordination number of 4 and a second shell of As-Al at 3.13 {+-} 0.04 {angstrom} with a coordination number of 2. These results are in agreement with a bidentate binuclear coordination environment to the octahedral Al of {gamma}-alumina as predicted by density functional theory (DFT) calculation.« less
  • The local structures of Zn{sub 1-x}Mg{sub x}O alloys have been studied by Raman spectroscopy and by synchrotron x-ray pair-distribution-function (PDF) analysis. Within the solid solution range (0 {le} x {le} 0.15) of Zn{sub 1-x}Mg{sub x}O, the wurtzite framework is maintained with Mg homogeneously distributed throughout the wurtzite lattice. The E{sub 2}{sup high} Raman line of Zn{sub 1-x}Mg{sub x}O displays systematic changes in response to the evolution of the crystal lattice upon the Mg substitution. The redshift and broadening of the E{sub 2}{sup high} mode are explained by the expansion of hexagonal ab dimensions and compositional disorder of Zn/Mg, respectively. Synchrotronmore » x-ray PDF analyses of Zn{sub 1-x}Mg{sub x}O reveal that the Mg atoms have a slightly reduced wurtzite parameter u and more regular tetrahedral bond distances than the Zn atoms. For both Zn and Mg, the internal tetrahedral geometries are independent of the alloy composition.« less