bet#

beatmap.core.bet(iso_df, a_o, info, *args)#

Performs BET analysis on isotherm data for all relative pressure ranges.

This function performs BET analysis of any relative pressure range where the starting relative pressure is less than the ending relative pressure.

Results of the analysis are written to arrays, the indexes of the arrays correspond to the starting and ending relative pressure.

eg the specific surface area value with the indicies [3,9] is the specific surface area for the relative pressure range that begins with the 4th data point and ends with the 10th.

Arrays of results are stored in the bet_results named tuple.

Indexing of named tuple elements is in order of priority, data used by other function are given priority.

Rather than pass individual parameters, this function can accept isotherm_data (where isotherm_data is a named tuple output by a data import function).

Parameters:
iso_df: DataFrame

Isotherm data, output by a data import function.

a_ofloat

Cross sectional area of adsorbate, in square Angstrom, output by a data import function.

infostr

Adsorbate-adsorbent information, output by a data import function.

Returns:
bet_resultsnamedtuple

Contains the results of BET analysis. Tuple elements are:

  • bet_results.intercept (ndarray) : 2D array of intercept values for the BET plot trendline. Indicies correspond to first and last datapoint used in the analysis.

  • bet_results.iso_df (DataFrame) : Experimental isotherm data.

  • bet_results.nm (ndarray) : 2D array of monolayer adsorbed amounts, in mol/g, indicies correspond to first and last datapoint used in the analysis.

  • bet_results.slope (ndarray) : 2D array of slope values for the BET plot trendline. Indicies correspond to first and last datapoint used in the analysis.

  • bet_results.ssa (ndarray) : 2D array of specific surface area values, in m^2/g, indicies correspond to first and last datapoint used in the analysis.

  • bet_results.c (ndarray) : 2D array of BET constants values, indicies correspond to first and last datapoint used in the analysis.

  • bet_results.err (ndarray) : 2D array of average error between a datapoint and the theoretical BET isotherm. Indicies correspond to first and last datapoint used in the analysis.

  • bet_results.r (ndarray) : 2D array of r values for the BET plot trendline. Indicies correspond to first and last datapoint used in the analysis.

  • bet_results.num_pts (ndarray) : 2D array of the number of experimental data points per relative pressure range.

  • bet_results.info (str) : string of adsorbate-adsorbent info by other functions to name files.