MWD: Theories

MWD Discretization

../../../../_images/create_MWDiscr_theory.png
  • The area, \(\phi_i\), of each grey bin corresponds to the area under the data curve delimited by the bin edges. The height, \(h_i\), of the bin is the area divided by the bin width (on a \(\log_{10}\) scale).

    You can change the number of bins and move the bin edges by dragging the yellow markers.

  • In the bottom of the plot, the grey tick marks indicate the bin molecular weight taken as the weight-average molecular mass value across the bin width

    \[M_{w,i} = \frac{\sum w_j M_j}{\sum w_j}.\]
  1. To save the discretized molecular weight, click the th_save button.

    The output file contains a header with the moments \(M_n\), \(M_w\) and the PDI, and two columns. The first column is the molecular weight \(M_{w,i}\) as indicated by the grey tick marks, the second column is \(\phi_i\), the value of the area of the covered by the bin.

    The sum of the areas should equal 1:

    \[\sum \phi_i = 1.\]

Log-Normal distribution

Summary

Log-Normal distribution: the logarithm of the molecular weight is normally distributed

  • Function
    \[W(M) = W_0 \frac{1}{\sqrt{2\pi\sigma^2}} \exp\left[ - \frac{\left(\ln{M}-(\ln{M_0} + \sigma^2)\right)^2}{2\sigma^2} \right]\]
  • Parameters
    • logW0 \(\equiv\log_{10}(W_0)\): Normalization constant.

    • logM0 \(\equiv\log_{10}(M_0)\)

    • sigma \(\equiv\sigma\)

Generalized Exponential Function

Summary

Generalized Exponential Function (GEX) for experimental molecular weight distributions.

  • Function
    \[W(M) = W_0 \frac{b}{M_0 \Gamma\left(\frac{a+1}{b}\right)} \left(\frac{M}{M_0}\right)^{a} \exp\left[ -\left(\frac{M}{M_0}\right)^b \right]\]
  • Parameters
    • logW0 \(\equiv\log_{10}(W_0)\): Normalization constant.

    • logM0 \(\equiv\log_{10}(M_0)\): Proportional to \(M_n\) and \(M_w\).

    • a : Parameter related to polydispersity and skewness

    • b : Parameter related to polydispersity and skewness