DFT Pore Size Report Options

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The DFT Pore Size report contains the results of pore size distribution analyses using a non-local DFT range of micro and mesopore ranges.

DFT Pore Size Report Options Fields and Buttons Table
Field or Button Description
Geometry
[drop‑down box]
Select the pore shape.
Model [drop‑down box] Lists the models that meet the specified criteria and match the adsorbate and temperature of the sample data. If no models appear, no models meet the selected criteria. One model must be selected.
Pressures [button] Use to select a pressure range for report calculations and points for exclusion from calculations.

Calculation pressure range. Enter the minimum and maximum pressures to be used in the pressure table.To exclude a point from the calculations used to generate the report, select Exclude.

Exclude All. Select to exclude all pressure points in the table.

Include All. Select to include all pressure points in the table.

Regularization
[drop‑down box]
Select the extent of smoothing to apply to the data. If 0.20000 (user) is selected, enter a number in the text box giving a relative weight for the smoothing during deconvolution. Larger values produce more smoothing.
Select Reports
[group box]

Select the reports to generate. To edit graph details, highlight the graph option and click Edit. The Log Goodness of Fit and Goodness of Fit graphs cannot be edited.

Autoscale Options. Use to autoscale the x-axis and/or y-axes.

Axis Range. From / To fields are enabled when Autoscale options are not selected. Enter the starting and ending values for the x- and/or y-axes.

  • x-axis. Shows the pore size.
  • y-axis. Shows the area.

Overlay. Select an overlay for the report.

Plot Type. Select the method for data display.

Type [drop‑down box]

Classical. Model based on the Kelvin equation and thickness for determining the pore size distribution. See DFT Models.

DFT. Model based on the density functional theory.

Version 2 deconvolution [check box]

If enabled, adds improved performance for nonzero values of the DFT regularization. The DFT results will be slightly better than when the checkbox is not selected and when using a regularization parameter. When the checkbox is not selected, the legacy behavior of the DFT calculation used by earlier versions of the application is produced.

  For fields and buttons not listed in this table, see Common Fields and Buttons.
 
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