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Structure of aqueous potassium pentaborate solution
Zhu, F. Y.1; Fang, C. H.1; Fang, Y.1; Zhou, Y. Q.1; Ge, H. W.1; Liu, H. Y.1,2
AbstractThe structure of aqueous potassium pentaborate solution has been confirmed by species distribution calculation, synchrotron X-ray scattering, density function theory calculation. The kinds of species and the transformation relationship were investigated by species distribution calculation. The radial distribution function and the structure parameters were given out by synchrotron X-ray scattering experiment. The hydration distance of K-O(H2O) is similar to 0.294 nm with a average hydration number of 8.0. The B-O(H2O) distance in hydrated anion [B3O3(OH)(4)(H2O)(n)](-) were determined to be similar to 0.37 nm with the hydration number of 4-5. The structure and interaction energy of the first hydration sphere of [K(H2O)(n)](+) and [B3O3(OH)(4)(H2O)(n)](-) were also studied by density functional theory calculation. (C) 2014 Elsevier B.V. All rights reserved.
KeywordPotassium Pentaborate Solution Structure X-ray Scattering Density Function Theory
WOS HeadingsScience & Technology ; Physical Sciences
Indexed BySCI
WOS Research AreaChemistry
WOS SubjectChemistry, Physical
WOS IDWOS:000348879500060
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Document Type期刊论文
Affiliation1.Chinese Acad Sci, Inst Salt Lakes, Key Lab Salt Resources & Chem, Xining 8100084, Qinghai, Peoples R China
2.Chinese Acad Sci, Grad Univ, Beijing 100049, Peoples R China
Recommended Citation
GB/T 7714
Zhu, F. Y.,Fang, C. H.,Fang, Y.,et al. Structure of aqueous potassium pentaborate solution[J]. JOURNAL OF MOLECULAR STRUCTURE,2015,1083:471-479.
APA Zhu, F. Y.,Fang, C. H.,Fang, Y.,Zhou, Y. Q.,Ge, H. W.,&Liu, H. Y..(2015).Structure of aqueous potassium pentaborate solution.JOURNAL OF MOLECULAR STRUCTURE,1083,471-479.
MLA Zhu, F. Y.,et al."Structure of aqueous potassium pentaborate solution".JOURNAL OF MOLECULAR STRUCTURE 1083(2015):471-479.
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