Calculation of heat of polymerisation: group-contribution method

Abstract

Heat of Polymerisation of a polymeric system is largely dependent on its monomer. So depending upon the structure of the monomer, the prediction of the heat of polymerisation can be done. In the present study the structural features of the monomer, that is undergoing polymerisation reaction, has been assumed to be responsible for the heat of polymerisation. To calculate the heat of polymerisation of a particular reaction, Group-Contribution method (GC-method) has been used. Certain values (S-R value) have been assigned for the different structural units, present in the monomers. The S-R values have been obtained by correlating of the heat of polymerisation of a large number of polymers. Addition of the S-R values corresponding to the structural units of the monomer will give the heat of polymerisation of that particular reaction. This CC-method is applicable where liquid monomers form condensed polymers. This empirical method gives quite satisfactory results in calculating the heat of polymerisation for a large number of polymeric systems.