React: General description

Purpose

Data Files

• The first line of the file should contain the sample parameters separated by semi-colons (;). It may contain any number of parameters which will be read and saved as file-parameter in RepTate. In unit-aware applications, a file parameter value may also include an explicit unit, for example Mw=1131 Da;T=25 ºC;gdot=0.1 1/s;.

• Then the data columns should appear, separated by spaces or tabs.

• In unit-aware applications, column headers may include units in square brackets or parentheses, for example t [min] or G' [kPa]. See Units for the supported units and current limitations.

.reac extension

Text files with .reac extension should be organised as follows:

• .reac files are not expected to provide any specific parameter values.

• 4 columns separated by spaces or tabs containing respectively:

  1. molar mass, \(M\),

  2. weight associated, \(\dfrac{\text d w(\log M)}{\text d \log M}\),

  3. the g-factor, \(g(M)=\dfrac{\langle R^2_g \rangle_\text{branched}}{\langle R^2_g \rangle_\text{linear}}\)

  4. number of branching points per 1000 carbon.

A correct .reac file looks like:

0.1148E+03 0.5000E-03 0.1000E+01 0.0000E+00
0.1514E+03 0.1500E-02 0.1000E+01 0.0000E+00
0.1995E+03 0.1667E-02 0.1000E+01 0.0000E+00
0.2630E+03 0.1750E-02 0.1000E+01 0.0000E+00
0.3467E+03 0.5250E-02 0.1000E+01 0.0000E+00
0.4571E+03 0.6750E-02 0.9977E+00 0.3765E+00
...        ...        ...        ...

Views

w(M)

log(w(M))

\(\log_{10}(w(M))\) (log-linear)

g(M)

\(g(M)\) (log-linear)

log(g(M))

\(\log_{10}(g(M))\) (log-linear)

br/1000C

\(\text{br/1000C}\) (log-linear)