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:

    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)

BaseApplicationReact.view_wM()[source]

Molecular weight distribution \(w(M)\) vs molecular weight \(M\) (in logarithmic scale)

../../../_images/React_wM.png

log(w(M))

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

BaseApplicationReact.view_logwM()[source]

Logarithm of the molecular weight distribution \(\log(w(M))\) vs molecular weight \(M\) (in logarithmic scale)

../../../_images/React_logwM.png

g(M)

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

BaseApplicationReact.view_gM()[source]

\(g\)-factor as a function of the molecular weight. The \(g\)-factor is defined as \(g = \dfrac{\langle R^2_g \rangle_\text{branched}}{\langle R^2_g \rangle_\text{linear}}\)

../../../_images/React_gM.png

log(g(M))

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

BaseApplicationReact.view_loggM()[source]

Logarithm of the \(g\)-factor as a function of the molecular weight. The \(g\)-factor is defined as \(g = \dfrac{\langle R^2_g \rangle_\text{branched}}{\langle R^2_g \rangle_\text{linear}}\)

../../../_images/React_LoggM.png

br/1000C

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

BaseApplicationReact.view_br_1000C()[source]

Number of branching points per 1000 carbon as a function of the molecular weight

../../../_images/React_br_1000C.png