Dataset for "Defining the flexibility window in ordered aluminosilicate zeolites"
This is a dataset for manuscript "Defining the flexibility window in ordered aluminosilicate zeolites". In this dataset there are three folders: PEARL_High-PressureDataOctober2012; PEARLDecember2011 and SimulationsFilesForAlBarPaper
1) PEARL_High-PressureDataOctober2012 contains:
PEARL instrument raw data for BrSOD in ethanol-methanol-water solvent, NaOH-SOD in fluorinate, NaOH-SOD in ethanol-methanol-water and plain NaOH in vanadium can.
GSAS data for for BrSOD in ethanol-methanol-water solvent, NaOH-SOD in fluorinate, NaOH-SOD in ethanol-methanol-water and plain NaOH in vanadium can.
Cell parameters were analysed in EXCEL and are in files labeled alldata.
Calibration files include: Lead.xls, PEARL_123.ipf.
2) PEARLDecember2011 contains:
All refinements done for the data in GSAS
3)SimulationsFilesForAlBarPaper contains:
files for running GASP program;
result files for the simulations and analysis;
high-pressure data files;
analysis of high-pressure files.
Cite this dataset as:
Sartbaeva, A.,
Wells, S.,
2017.
Dataset for "Defining the flexibility window in ordered aluminosilicate zeolites".
Bath: University of Bath Research Data Archive.
Available from: https://doi.org/10.15125/BATH-00399.
Export
Data
PEARL_High … eData_October2012.7z
application/x-7z-compressed (66MB)
Creative Commons: Attribution 4.0
High-pressure data, refinements, data analysis
SimulationFilesForAlBarPaper.7z
application/x-7z-compressed (399kB)
Creative Commons: Attribution 4.0
PEARLDecember2011.7z
application/x-7z-compressed (112MB)
Creative Commons: Attribution 4.0
No restrictions
Contributors
University of Bath
Rights Holder
Documentation
Data collection method:
High-pressure data, refinements, analysis Geometric simulation
Data processing and preparation activities:
Data were collected as .raw files. Data were refined using GSAS free software. Refined data were analysed using Excel.
Technical details and requirements:
GSAS, Excel
Documentation Files
PEARL_High … October2012_ReadMe.txt
text/plain (632B)
SimulationFiles … README.txt
text/plain (994B)
Funders
Royal Society
https://doi.org/10.13039/501100000288
Royal Society University Research Fellowship (Asel Sartbaeva)
UF090287
Horizon 2020 Framework Programme
https://doi.org/10.13039/100010661
GROWMOF – Modelling of MOF Self-Assembly, Crystal Growth and Thin Film Formation
648283
Publication details
Publication date: 2017
by: University of Bath
Version: 1
DOI: https://doi.org/10.15125/BATH-00399
URL for this record: https://researchdata.bath.ac.uk/id/eprint/399
Related papers and books
Wells, S. A., Leung, K. M., Edwards, P. P., Tucker, M. G., and Sartbaeva, A., 2017. Defining the flexibility window in ordered aluminosilicate zeolites. Royal Society Open Science, 4(9), 170757. Available from: https://doi.org/10.1098/rsos.170757.
Contact information
Please contact the Research Data Service in the first instance for all matters concerning this item.
Contact person: Asel Sartbaeva
Faculty of Engineering & Design
Chemical Engineering
Faculty of Science
Chemistry
