Structure of aqueous potassium pentaborate solution

ISL OpenIR > 青海盐湖研究所知识仓储

	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
	2015-03-05
发表期刊	JOURNAL OF MOLECULAR STRUCTURE
卷号	1083 页码:471-479
关键词	Potassium Pentaborate Solution Structure X-ray Scattering Density Function Theory
摘要	The 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.
语种	英语
引用统计
文献类型	期刊论文
条目标识符	http://ir.isl.ac.cn/handle/363002/5743
专题	青海盐湖研究所知识仓储中国科学院青海盐湖研究所盐湖资源与化学实验室
作者单位	1.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
推荐引用方式 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.