pps proceeding - Abstract Preview
pps proceeding
Symposium: S04 - Modeling and Simulation
Poster Presentation
 
 

Simulation and analysis of chemical species behavior in ATRP process considering an adiabatic reactor as system

Vieira Roniérik P (1)*, Peres Augusto (2), Costa João M (2), Lona Liliane Maria F (1)

(1) University of Campinas - Campinas - Brazil, (2) Petrobras - Rio de Janeiro - Brazil

Atom transfer radical polymerization (ATRP) is one of controlled radical polymerization techniques for synthesis of materials with specific macromolecular structures. Using this technique, one can synthesize monodisperse homopolymer (low polydispersity index), end groups polymers or polymers with functionality in a particular position in the chain, which allows to produce different copolymers (block, gradient, random, etc.), allowing aggregate materials properties required in automotive and aerospace industry, cosmetics, paints and adhesives, and enable the production of materials for controlled delivery of drugs and other biomedical applications. Despite this potential related to ATRP, most research is responsible for developing new materials on the laboratory scale, leaving aside the conduct of proceedings at commercial scales. In this context, this paper uses a mathematical model based on mass balances to study the ATRP process in an adiabatic reactor, with the aim of investigating the chemical species behavior in the process under variable temperatures. The main contribution of this paper is that it provides a practical tool for studying the implementation of reactor heat exchange system enabling its scale up. The analysis results showed a linear evolution in temperature as the monomer conversion increases, and the typical ATRP process temperature (373 K) was achieved at 20 % of conversion. Along with this, the temperature increase causes a living polymers concentration reduction and an increase of dead polymer concentration, making lose its characteristics of controlled polymerization. With this, it is expected that formed polymer have a high polydispersity index.