Calculation of number-average functionality and gel-point for stepwise polymerization

14 December 2022, Version 1
This content is a preprint and has not undergone peer review at the time of posting.

Abstract

The number-average functionality is proposed a simplified equation which can be used to predict the reaction progress of the stepwise polymerization expediently. According to the equation, once the average functionality of one reactant ((f_b ) ̅, for example) is fixed, there will be a critical functionality of (f_a ) ̅. The reaction system has no risk to gel with the increase of component A if (f_a ) ̅ is below the critical functionality, while gelation will occur with the increase of component A if (f_a ) ̅ is higher than the critical functionality, and the gel point is the degree of reaction when (f_nb ) ̅ diverges to indefinitely large. The deduced equation is suitable for polymerization between R-An and R’-Bn, in which one of the components could be consumed completely, such as polyurethane, polyester, or other stepwise polymerization reactions. The equation can calculate the number-average functionality of polymer mixtures, especially for grafting or branched polymerization.

Supplementary materials

Title
Description
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Title
code of matlab and drawing of chemdraw
Description
The supplementary material includes follows: 1) Verify the accuracy of equation 23 by Chemdraw 2) figure and code for assumption relationship with Mw and Mn 3) The code which can be used in Matlab for Figure 4 in the manuscript
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