The calculation tutorial series will use smaller unit cell sizes than the engineering and initialisation tutorials to reduce the time taken to perform the calculations. Some of the operations take a very long time to complete if a large unit cell if being used, or a long diffusion time or wetting time is selected. The calculation operations tutorials will use a paper coating sample with a 10 x 10 x 10 unit cell size.

It is possible to start this tutorial by opening the Porexpert file which has the initialisation steps performed, or you can open the original experimental data file to practice the initialisation phase. The experimental data file has been fitted using a random structure type and there is a cuboidal unit cell data file (12 x 12 x 6) and a cubic data file (10 x 10 x 10). The cuboidal unit cell is only usable with PoreXpert professional.

 

The filtration algorithm will be covered in its own separate tutorial section.

 

A list of the tutorial files used and created by this section of the tutorial are listed below:

Optional Experimental data file

•Calcium Carbonate Paper Coating.csv

 

Data files required

•Calcium carbonate paper coating cubic.pxt
•Calcium carbonate paper coating cuboidal.pxt

 

Data files created

•Calcium carbonate paper coating cubic results.pxt
•Calcium carbonate paper coating cuboidal results.pxt

 

Reporting Files created

•Calcium carbonate paper coating cubic.pdf
•Calcium carbonate paper coating cuboidal.pdf
•The CSV reports are also in the reports subfolder for both structures.

 

PoreBatch file that undertakes the tutorial

•Calculation tutorial paper coating cubic batch.pxt
•Calculation tutorial paper coating cuboidal batch.pxt

 

Instructions

 

1.Load the file "Calcium Carbonate Paper Coating.csv".
2.Fit the data using instructions provided in the initialisation tutorial.
3.Fit the structure using a 10 x 10 x 10 random structure or a 12 x 12 x 6 random structure.
4.Save the results as a report. Save the report in all three formats: as a pdf - which allows you to read the results as a document, as a csv file, which allows you to use the numbers e.g. for plotting in Excel, and as a PoreXpert format file, which will allow you to return to your results later.
5.Compare the results with the reports provided, namely : Calcium carbonate paper coating cubic.pdf, Calcium carbonate paper coating cuboidal.pdf and the CSV reports provided. Specifically, check that your goodness of fit is as good as the results provided -i.e your 'distance' is less than, or at least not much more, than the results provided.
6.Load the file "Calcium carbonate paper coating.csv"
7.Using the initialisation tutorial as guidelines change the structure type, dimensions of the unit cell or both properties of the structure you software will create.
8.Perform the same operations as in the reports above.

 

Summary of calculation operations

1.Permeability with oxygen at 25°C and 1 atmosphere pressure.
2.Thermal conductivity, using the calcium carbonate skeletal structure, with a 10 % secondary solid content of Latex Binder
a.Pore Space - Air
b.Absorbate - Water
c.Use Pore Connectivity and Solid Connectivity
3.Tortuosity of the unit cell. - calculate the tortuosity of the unit cell.
4.Fluid uptake operations
a.Wetting operation for 0.5 ms with 5 intermediate structures, absorbing from the bottom of the unit cell.
b.Non-wetting fluid percolation operation with intermediate structures, percolating into the top of the unit cell.
5.Fluid Migration (Diffusion) of fluid through the unit cell structure
a.Diffusion into the unit cell from the bottom of the unit cell for 10 seconds