scholarly journals Monitoring the assembly–disassembly–organisation–reassembly process of germanosilicate UTL through in situ pair distribution function analysis

2018 ◽  
Vol 6 (35) ◽  
pp. 17011-17018 ◽  
Author(s):  
Susan E. Henkelis ◽  
Samuel A. Morris ◽  
Michal Mazur ◽  
Paul S. Wheatley ◽  
Lauren N. McHugh ◽  
...  
Keyword(s):  
Distribution Function ◽  
Pair Distribution Function ◽  
Function Analysis ◽  
Pdf Analysis

A study into the disassembly and organisation steps of the ADOR process has been undertaken through in situ Pair Distribution Function (PDF) analysis.

scholarly journals In Situ Flow Pair Distribution Function Analysis to Probe the Assembly-Disassembly-Organisation-Reassembly (ADOR) Mechanism of Zeolite IPC-2 Synthesis

2021 ◽  
Author(s):  
Samantha E Russell ◽  
Susan E. Henkelis ◽  
Simon Maximilian Vornholt ◽  
Daniel N. Rainer ◽  
Karena Chapman ◽  
...  
Keyword(s):  
Distribution Function ◽  
Pair Distribution Function ◽  
Function Analysis ◽  
Pdf Analysis ◽  
Hydrothermal Methods

The Assembly-Disassembly-Organisation-Reassembly (ADOR) process is an important tool to access zeolite structures that are otherwise unfeasible via hydrothermal methods. In situ flow pair distribution function (PDF) analysis has been used...

In situ pair distribution function analysis of crystallizing Fe-silicate melts

2021 ◽  
Vol 56 (9) ◽  
pp. 5637-5657
Author(s):  
Emily T. Nienhuis ◽  
Manzila Tuheen ◽  
Jincheng Du ◽  
John S. McCloy
Keyword(s):  
Distribution Function ◽  
Pair Distribution Function ◽  
Function Analysis ◽  
Silicate Melts

scholarly journals SASPDF: pair distribution function analysis of nanoparticle assemblies from small-angle scattering data

2020 ◽  
Vol 53 (3) ◽  
pp. 699-709 ◽  
Author(s):  
Chia-Hao Liu ◽  
Eric M. Janke ◽  
Ruipen Li ◽  
Pavol Juhás ◽  
Oleg Gang ◽  
...  
Keyword(s):  
Distribution Function ◽  
Small Angle ◽  
Pair Distribution Function ◽  
Function Analysis ◽  
Small Angle Scattering ◽  
Scattering Data ◽  
Nanoparticle Assemblies ◽  
Angle Scattering ◽  
Pdf Analysis ◽  
Crystallite Sizes

SASPDF, a method for characterizing the structure of nanoparticle assemblies (NPAs), is presented. The method is an extension of the atomic pair distribution function (PDF) analysis to the small-angle scattering (SAS) regime. The PDFgetS3 software package for computing the PDF from SAS data is also presented. An application of the SASPDF method to characterize structures of representative NPA samples with different levels of structural order is then demonstrated. The SASPDF method quantitatively yields information such as structure, disorder and crystallite sizes of ordered NPA samples. The method was also used to successfully model the data from a disordered NPA sample. The SASPDF method offers the possibility of more quantitative characterizations of NPA structures for a wide class of samples.

scholarly journals Drying-induced atomic structural rearrangements in sodium-based calcium-alumino-silicate-hydrate gel and the mitigating effects of ZrO2 nanoparticles

2018 ◽  
Vol 20 (13) ◽  
pp. 8593-8606 ◽  
Author(s):  
Kengran Yang ◽  
V. Ongun Özçelik ◽  
Nishant Garg ◽  
Kai Gong ◽  
Claire E. White
Keyword(s):  
Distribution Function ◽  
Atomic Structure ◽  
Pair Distribution Function ◽  
Function Analysis ◽  
Zro2 Nanoparticles ◽  
Structural Rearrangements ◽  
X Ray ◽  
Alumino Silicate ◽  
Activated Slag

Drying-induced nanoscopic alterations to the local atomic structure of silicate-activated slag and the mitigated effects of nano-ZrO2 are elucidated using in situ X-ray pair distribution function analysis.

scholarly journals Total-scattering pair-distribution function analysis of zinc from high-energy synchrotron data

2019 ◽  
Vol 33 (33) ◽  
pp. 1950410 ◽  
Author(s):  
Ahmad S. Masadeh ◽  
Moneeb T. M. Shatnawi ◽  
Ghosoun Adawi ◽  
Yang Ren
Keyword(s):  
Crystal Structure ◽  
Distribution Function ◽  
Pair Distribution Function ◽  
Function Analysis ◽  
High Energy ◽  
Ambient Conditions ◽  
Total Scattering ◽  
X Ray ◽  
Zinc Metal ◽  
Pdf Analysis

The crystal structure of zinc metal deviates from the ideal hexagonal close packing structure by a significantly increased axial ratio (c/a). The local atomic structure of zinc metal is investigated using the total scattering atomic pair distribution function (PDF) analysis based on X-ray powder diffraction data collected at ambient conditions. The X-ray total scattering PDF analysis confirms that the crystal structure of zinc can be described in terms of wurtzite structure, but with an anomalously atomic displacement parameters [Formula: see text], indicating a significant displacement disorder along the [Formula: see text]-axis. For the long [Formula: see text]-range PDF refinements, the thermal motion of zinc shows a notable anisotropy as expressed by the ratio [Formula: see text]/[Formula: see text] of 2.5 at ambient conditions. This average distortion level along the [Formula: see text]-axis, was not reflected locally for the features below 5.0 Å as it fits the high [Formula: see text] region. Based on PDF refinements over different [Formula: see text]-ranges, we measure an interesting increase of the [Formula: see text] value with decreasing the [Formula: see text]-range of the refinement. This suggests that the local structure features in zinc metal differ from the average structure ones.

scholarly journals Exploring the origins of crystallisation kinetics in hierarchical materials using in situ X-ray diffraction and pair distribution function analysis

2020 ◽  
Vol 22 (34) ◽  
pp. 18860-18867 ◽  
Author(s):  
Matthew E. Potter ◽  
Mark E. Light ◽  
Daniel J. M. Irving ◽  
Alice E. Oakley ◽  
Stephanie Chapman ◽  
...  
Keyword(s):  
Distribution Function ◽  
Pair Distribution Function ◽  
Function Analysis ◽  
X Ray Diffraction ◽  
Crystallisation Kinetics ◽  
Total Scattering ◽  
Hierarchically Porous ◽  
X Ray ◽  
Scattering Measurements

Novel in situ synchrotron total scattering measurements probe the assembly of primary building units into templated hierarchically porous aluminophosphate catalysts, providing unique insights to understanding crystallisation kinetics.

scholarly journals In situ X-ray pair distribution function analysis of accelerated carbonation of a synthetic calcium–silicate–hydrate gel

2015 ◽  
Vol 3 (16) ◽  
pp. 8597-8605 ◽  
Author(s):  
Antoine E. Morandeau ◽  
Claire E. White
Keyword(s):  
Distribution Function ◽  
Pair Distribution Function ◽  
Calcium Silicate Hydrate ◽  
Function Analysis ◽  
High Energy ◽  
Accelerated Carbonation ◽  
X Ray ◽  
Kinetics Of Reaction ◽  
Kinetics Of

The kinetics of reaction and the local atomic structure of carbonating C–S–H gel are characterised using high-energy synchrotron radiation.

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