Computational Simulation of the Random Depolymerization of Linear Polymers Obtained by Step-Polymerization of AB-type Monomers

Floralba López; Geraldine Rangel; Mayerlin Uzcategui; Cristóbal Lárez  Velásquez

doi:10.6000/1929-5995.2013.02.03.5

Computational Simulation of the Random Depolymerization of Linear Polymers Obtained by Step-Polymerization of AB-type Monomers

Authors

Floralba López Grupo de QUIFFIS, Departamento de Química, Facultad de Ciencias, Universidad de Los Andes, Mérida 5101, Venezuela
Geraldine Rangel Grupo de QUIFFIS, Departamento de Química, Facultad de Ciencias, Universidad de Los Andes, Mérida 5101, Venezuela
Mayerlin Uzcategui SUMA, Departamento de Física, Facultad de Ciencias, Universidad de Los Andes, Mérida 5101, Venezuela
Cristóbal Lárez Velásquez Grupo de Polímeros, Departamento de Química, Facultad de Ciencias, Universidad de Los Andes, Mérida 5101, Venezuela

DOI:

https://doi.org/10.6000/1929-5995.2013.02.03.5

Keywords:

Depolymerization computational simulation, Flory-Schultz distribution, polydispersity index, random scission

Abstract

This paper presents evaluation results of a computational algorithm developed to simulate the random depolymerization process of a linear polymer having an initial distribution of molecular weights similar to polymers obtained by polycondensation of AB-type monomers, i.e., Flory-Schultz or most probable distribution. Starting from fundamental definitions of this system, as the initial values of the degree of polymerization and chain number (X_no and N_o, respectively) and the percentage of cleaved bonds (%E), it is confirmed that our algorithm adequately describes the random depolymerization process. Results obtained during the computational simulation indicate that the algorithm properly predicts, among other things, that the inverse of the final polymerization degree (1/X_nf) increases linearly with the applied %E while polydispersity after depolymerization (D_f) decreases linearly when the latter parameter increases.

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Published

2013-09-30

How to Cite

López, F., Rangel, G., Uzcategui, M., & Velásquez, C. L. . (2013). Computational Simulation of the Random Depolymerization of Linear Polymers Obtained by Step-Polymerization of AB-type Monomers. Journal of Research Updates in Polymer Science, 2(3), 174–182. https://doi.org/10.6000/1929-5995.2013.02.03.5

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Vol. 2 No. 3 (2013)

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