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Returning to Basics: Direct Integration of the Full Molecular‐Weight Distribution Equations in Addition Polymerization

2010; Wiley; Volume: 19; Issue: 4 Linguagem: Inglês

10.1002/mats.200900072

1521-3919

Enrique Saldívar‐Guerra, Ramiro Infante, Eduardo Vivaldo‐Lima, Antonio Flores‐Tlacuahuac,

Polymer Science and PVC

Abstract Direct integration of the equations describing the full MWD in addition polymerization is shown to be feasible in reasonable computing times using standard computers for a considerable number of realistic systems. This is possible if the stiffness of the system is removed (if present) by the application of the QSSA, and the use of suitable numerical methods. This communication provides the basic ideas of a general method, based on the chemical nature of the system and the structure of the MWD equations. The application of the method provides additional insight on the dynamics and the underlying chemistry of the system. Examples of free radical polymerizations including controlled radical polymerization are offered, which can be solved in less than an hour on a PC. magnified image