MWD Tutorial: Command Line

Hint

Tutorial command line (CL) files can be found in the tests/ folder. They can be run in batch mode or in interactive mode.

  • To run them in interactive mode, introduce the lines in the file (except the comments, which start with # and the line console batch) one by one and wait for the results.

  • To run them in batch mode, you can execute the tutorial of your choice, e.g.:

    RepTateCL.py -b < tutorial/TEST_WLFShift.txt # Linux or Mac

    or:

    RepTateCL.py -b < tutorial\TEST_WLFShift.txt # Windows

(the difference is the use of backslash \ instead of slash /) and the output will be shown in the command line. In batch mode, no graphs or plots are shown.

Start RepTate and open a new MWD application:

RepTate> new MWD

Open a data file containing a GPC data (see Data Files) and display the data:

RepTate/MWD1/DataSet01> open data/PS_Linear_Polydisperse/ps2.gpc
RepTate/MWD1/DataSet01> plot
MWD

Open a new “Discretize MWD” theory:

RepTate/MWD1/DataSet01> theory_new Discretize MWD

The output is:

Characteristics of the input MWD
Mn (kg/mol)  Mw (kg/mol)  Mw/Mn     Mz/Mw     Mz+1/Mz
101          274          2.72      1.83      1.5

Characteristics of the discretized MWD
Mn (kg/mol)  Mw (kg/mol)  Mw/Mn     Mz/Mw     Mz+1/Mz
106          274          2.59      1.75      1.45
MWD

Change the number of bins to 20:

RepTate/MWD1/DataSet01/Discretize MWD01> nbin=20

The output is:

Characteristics of the input MWD
Mn (kg/mol)  Mw (kg/mol)  Mw/Mn     Mz/Mw     Mz+1/Mz
101          274          2.72      1.83      1.5

Characteristics of the discretized MWD
Mn (kg/mol)  Mw (kg/mol)  Mw/Mn     Mz/Mw     Mz+1/Mz
102          274          2.68      1.8       1.48
MWD

  1. Save discretized molecular weight:

    RepTate/MWD1/DataSet01/Discretize MWD01> save

  2. Exit RepTate (the y answer is needed):

    RepTate/TTS1/DataSet01/WLF Shift01> quit