React: General description¶
Purpose¶
Application for Monte Carlo polymerisation
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.Then the data columns should appear, separated by spaces or tabs.
.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:
molar mass, \(M\),
weight associated, \(\dfrac{\text d w(\log M)}{\text d \log M}\),
the g-factor, \(g(M)=\dfrac{\langle R^2_g \rangle_\text{branched}}{\langle R^2_g \rangle_\text{linear}}\)
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)¶
- ApplicationReact.view_wM()[source]¶
Molecular weight distribution \(w(M)\) vs molecular weight \(M\) (in logarithmic scale)

log(w(M))¶
\(\log_{10}(w(M))\) (log-linear)
- ApplicationReact.view_logwM()[source]¶
Logarithm of the molecular weight distribution \(\log(w(M))\) vs molecular weight \(M\) (in logarithmic scale)

g(M)¶
\(g(M)\) (log-linear)
- ApplicationReact.view_gM()[source]¶
\(g\)-factor as a function of the molecular weight. The \(g\)-factor is defined as \(g = \dfrac{\langle R^2_g \rangle_\text{branched}}{\langle R^2_g \rangle_\text{linear}}\)

log(g(M))¶
\(\log_{10}(g(M))\) (log-linear)
- ApplicationReact.view_loggM()[source]¶
Logarithm of the \(g\)-factor as a function of the molecular weight. The \(g\)-factor is defined as \(g = \dfrac{\langle R^2_g \rangle_\text{branched}}{\langle R^2_g \rangle_\text{linear}}\)

br/1000C¶
\(\text{br/1000C}\) (log-linear)
- ApplicationReact.view_br_1000C()[source]¶
Number of branching points per 1000 carbon as a function of the molecular weight
