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A number of tools I use for processing isotherms, that don't deserve their own repo yet.

Installation

  • Clone this repo
  • cd into repo, then do pip install .

Parsing and manipulating a pore size distribution form SAIEUS

There is a class for automatically parsing and manipulating the output from SAIEUS - worktools.deconvolution.saieus.

To import a SAIEUS file;

from worktools.deconvolution import saieus

file = '/path/to/file.CSV'
dat = saieus.parse(file)

This stores all of the relevant data from the csv file. The data can be accessed by calling the relevant variable;

print(dat.material) # outputs material id, e.g. ACC2600
print(dat.lambda_regularisation) # outputs lambda used in regularisation, e.g. 4

The pore size distribution and isotherm (with fit) can also be accessed via;

print(dat.psd)
print(dat.isotherm)

Calculations can then be made on the data imported, for example;

print(dat.peak()) # peak of pore size distribution
print(dat.porosity_slice()) # get pore volume, surface area between any two pore widths
print(dat.pore_region_slice('micro')) # get pore volume, surface area in micropore region.

Current status

Work in progress!