Dataset for "Defining the flexibility window in ordered aluminosilicate zeolites"


Sartbaeva, A., Wells, S., 2017. Dataset for "Defining the flexibility window in ordered aluminosilicate zeolites". University of Bath. https://doi.org/10.15125/BATH-00399.


Dataset abstract

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.

Title: Dataset for "Defining the flexibility window in ordered aluminosilicate zeolites"
Keywords: zeolite, geometric simulation, GASP, flexibility window
Subjects: Chemical measurement > Chemical Structure
Materials sciences > Materials Characterisation
Materials sciences > Materials Synthesis and Growth
Departments: Faculty of Engineering & Design > Chemical Engineering
Faculty of Science > Chemistry
DOI: https://doi.org/10.15125/BATH-00399
URI: https://researchdata.bath.ac.uk/id/eprint/399
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