B(OH)4− hydration and association in sodium metaborate solutions by X-ray diffraction and empirical potential structure refinement

2017 ◽  
Vol 19 (40) ◽  
pp. 27878-27887 ◽  
Author(s):  
Yongquan Zhou ◽  
Souta Higa ◽  
Chunhui Fang ◽  
Yan Fang ◽  
Wenqian Zhang ◽  
...  
Keyword(s):  
Structure Refinement ◽  
X Ray Diffraction ◽  
Ion Hydration ◽  
Sodium Metaborate ◽  
X Ray ◽  
Empirical Potential ◽  
X Ray Scattering ◽  
Potential Structure ◽  
Ray Scattering

The structures of ion hydration and association in aqueous NaB(OH)4 solutions are elucidated with X-ray scattering and EPSR.

scholarly journals Structure of Aqueous RbCl and CsCl Solutions Using X-Ray Scattering and Empirical Potential Structure Refinement Modelling

2018 ◽  
Vol 34 (5) ◽  
pp. 483-491 ◽  
Author(s):  
Yongquan ZHOU ◽  
◽  
Yoshie SOGA ◽  
Toshio YAMAGUCHI ◽  
Yan FANG ◽  
...  
Keyword(s):  
Structure Refinement ◽  
X Ray ◽  
Empirical Potential ◽  
X Ray Scattering ◽  
Potential Structure ◽  
Ray Scattering

Experimentally consistent atomistic modeling of bulk and local structure in liquids and disordered materials by empirical potential structure refinement

2008 ◽  
Vol 80 (6) ◽  
pp. 1211-1227 ◽  
Author(s):  
Daniel T. Bowron
Keyword(s):  
Structure Refinement ◽  
Solution Chemistry ◽  
Model Systems ◽  
Scattering Data ◽  
Liquid Gallium ◽  
X Ray ◽  
Empirical Potential ◽  
X Ray Scattering ◽  
Potential Structure ◽  
Ray Scattering

This article presents an overview of the use of the empirical potential structure refinement (EPSR) technique for generating three-dimensional atomistic models of liquids and structurally disordered solids that are consistent with experimental neutron and X-ray scattering data. The extension of this technique through the calculation of extended X-ray absorption fine structure (EXAFS) spectra is outlined, and the benefits of this are demonstrated for a range of systems and in particular for our ability to address structural questions of importance in solution chemistry. The model systems chosen as examples for structural analysis are (i) liquid gallium, (ii) silica glass, and (iii) a 1 m aqueous solution of YCl3. The advantages of this analytical approach for addressing chemically specific structural questions in disordered systems are discussed within the context of the experimental alternatives based on the techniques of neutron scattering with isotopic substitution and anomalous X-ray scattering.

Structure of alkaline aqueous NaBH4 solutions by X-ray scattering and empirical potential structure refinement

2019 ◽  
Vol 274 ◽  
pp. 173-182 ◽  
Author(s):  
Yongquan Zhou ◽  
Toshio Yamaguchi ◽  
Koji Yoshida ◽  
Chunhui Fang ◽  
Yan Fang ◽  
...  
Keyword(s):  
Structure Refinement ◽  
X Ray ◽  
Empirical Potential ◽  
X Ray Scattering ◽  
Potential Structure ◽  
Ray Scattering

Time-resolved isothermal crystallization of absorbable PGA-co-PLA copolymer by synchrotron small-angle X-ray scattering and wide-angle X-ray diffraction

Polymer ◽  
2001 ◽  
Vol 42 (21) ◽  
pp. 8965-8973 ◽  
Author(s):  
Zhi-Gang Wang ◽  
Xuehui Wang ◽  
Benjamin S. Hsiao ◽  
Saša Andjelić ◽  
Dennis Jamiolkowski ◽  
...  
Keyword(s):  
Small Angle ◽  
Isothermal Crystallization ◽  
Wide Angle ◽  
X Ray Diffraction ◽  
Time Resolved ◽  
X Ray ◽  
X Ray Scattering ◽  
Ray Scattering

A high-throughput assembly of beam-shaping channel-cut monochromators for laboratory high-resolution X-ray diffraction and small-angle X-ray scattering experiments

2021 ◽  
Vol 54 (3) ◽  
Author(s):  
Peter Nadazdy ◽  
Jakub Hagara ◽  
Petr Mikulik ◽  
Zdenko Zaprazny ◽  
Dusan Korytar ◽  
...  
Keyword(s):  
High Resolution ◽  
Small Angle ◽  
Photon Flux ◽  
Photon Flux Density ◽  
X Ray Diffraction ◽  
High Beam ◽  
X Ray ◽  
X Ray Scattering ◽  
Beam Collimation ◽  
Ray Scattering

A four-bounce monochromator assembly composed of Ge(111) and Ge(220) monolithic channel-cut monochromators with V-shaped channels in a quasi-dispersive configuration is presented. The assembly provides an optimal design in terms of the highest transmittance and photon flux density per detector pixel while maintaining high beam collimation. A monochromator assembly optimized for the highest recorded intensity per detector pixel of a linear detector placed 2.5 m behind the assembly was realized and tested by high-resolution X-ray diffraction and small-angle X-ray scattering measurements using a microfocus X-ray source. Conventional symmetric and asymmetric Ge(220) Bartels monochromators were similarly tested and the results were compared. The new assembly provides a transmittance that is an order of magnitude higher and 2.5 times higher than those provided by the symmetric and asymmetric Bartels monochromators, respectively, while the output beam divergence is twice that of the asymmetric Bartels monochromator. These results demonstrate the advantage of the proposed monochromator assembly in cases where the resolution can be partially sacrificed in favour of higher transmittance while still maintaining high beam collimation. Weakly scattering samples such as nanostructures are an example. A general advantage of the new monochromator is a significant reduction in the exposure time required to collect usable experimental data. A comparison of the theoretical and experimental results also reveals the current limitations of the technology of polishing hard-to-reach surfaces in X-ray crystal optics.

Sign in / Sign up

Export Citation Format

Share Document