Mathematical Modeling of the Production of Elastomers by Emulsion Polymerization in Trains of Continuous Reactors
A mechanistic model is proposed to describe the emulsion polymerization processes for the production of styrene–butadiene rubber (SBR) and acrylonitrile–butadiene rubber (NBR) elastomers in trains of continuous stirred tank reactors (CSTRs). A single model was used to describe both processes by choo...
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doaj-b264e892d8ea42388637c2e10819c9452020-11-25T04:01:33ZengMDPI AGProcesses2227-97172020-11-0181508150810.3390/pr8111508Mathematical Modeling of the Production of Elastomers by Emulsion Polymerization in Trains of Continuous ReactorsEnrique Saldívar-Guerra0Ramiro Infante-Martínez1José María Islas-Manzur2Centro de Investigación en Química Aplicada, Blvd. Enrique Reyna 140, Saltillo Coahuila CP 25294, MexicoCentro de Investigación en Química Aplicada, Blvd. Enrique Reyna 140, Saltillo Coahuila CP 25294, MexicoDynasol Group, Planta Emulsión, Km 13.5 Carretera Tampico-Mante Int. A, Altamira, Tamaulipas CP 89608, MexicoA mechanistic model is proposed to describe the emulsion polymerization processes for the production of styrene–butadiene rubber (SBR) and acrylonitrile–butadiene rubber (NBR) elastomers in trains of continuous stirred tank reactors (CSTRs). A single model was used to describe both processes by choosing the proper physicochemical parameters of each system. Most of these parameters were taken from literature sources or estimated a priori; only one parameter (the entry rate coefficient) was used as an adjustable value to reproduce the kinetics (mainly conversion), and another parameter (the transfer to polymer rate coefficient) was used to fit the molecular weight distribution (MWD) experimental values from plant data. A 0-1-2 model for the number of particles and for the moments of the MWD was used to represent with more fidelity the compartmentalization effects. The model was based on approaches used in previous emulsion polymerization models published in the literature, with the premise of reaching a compromise between the level of detail, complexity, and practical value. The model outputs along the reactor train included conversion, remaining monomer composition, instantaneous and accumulated copolymer composition, the number of latex particles and particle diameter, polymerization rate, the average number of radicals per particle, average molecular weights, and the number of branches per chain.https://www.mdpi.com/2227-9717/8/11/1508emulsion polymerizationstyrene–butadiene rubbernitrile rubbermathematical modeling |
collection |
DOAJ |
language |
English |
format |
Article |
sources |
DOAJ |
author |
Enrique Saldívar-Guerra Ramiro Infante-Martínez José María Islas-Manzur |
spellingShingle |
Enrique Saldívar-Guerra Ramiro Infante-Martínez José María Islas-Manzur Mathematical Modeling of the Production of Elastomers by Emulsion Polymerization in Trains of Continuous Reactors Processes emulsion polymerization styrene–butadiene rubber nitrile rubber mathematical modeling |
author_facet |
Enrique Saldívar-Guerra Ramiro Infante-Martínez José María Islas-Manzur |
author_sort |
Enrique Saldívar-Guerra |
title |
Mathematical Modeling of the Production of Elastomers by Emulsion Polymerization in Trains of Continuous Reactors |
title_short |
Mathematical Modeling of the Production of Elastomers by Emulsion Polymerization in Trains of Continuous Reactors |
title_full |
Mathematical Modeling of the Production of Elastomers by Emulsion Polymerization in Trains of Continuous Reactors |
title_fullStr |
Mathematical Modeling of the Production of Elastomers by Emulsion Polymerization in Trains of Continuous Reactors |
title_full_unstemmed |
Mathematical Modeling of the Production of Elastomers by Emulsion Polymerization in Trains of Continuous Reactors |
title_sort |
mathematical modeling of the production of elastomers by emulsion polymerization in trains of continuous reactors |
publisher |
MDPI AG |
series |
Processes |
issn |
2227-9717 |
publishDate |
2020-11-01 |
description |
A mechanistic model is proposed to describe the emulsion polymerization processes for the production of styrene–butadiene rubber (SBR) and acrylonitrile–butadiene rubber (NBR) elastomers in trains of continuous stirred tank reactors (CSTRs). A single model was used to describe both processes by choosing the proper physicochemical parameters of each system. Most of these parameters were taken from literature sources or estimated a priori; only one parameter (the entry rate coefficient) was used as an adjustable value to reproduce the kinetics (mainly conversion), and another parameter (the transfer to polymer rate coefficient) was used to fit the molecular weight distribution (MWD) experimental values from plant data. A 0-1-2 model for the number of particles and for the moments of the MWD was used to represent with more fidelity the compartmentalization effects. The model was based on approaches used in previous emulsion polymerization models published in the literature, with the premise of reaching a compromise between the level of detail, complexity, and practical value. The model outputs along the reactor train included conversion, remaining monomer composition, instantaneous and accumulated copolymer composition, the number of latex particles and particle diameter, polymerization rate, the average number of radicals per particle, average molecular weights, and the number of branches per chain. |
topic |
emulsion polymerization styrene–butadiene rubber nitrile rubber mathematical modeling |
url |
https://www.mdpi.com/2227-9717/8/11/1508 |
work_keys_str_mv |
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