Graft Copolymers for Blend Compatibilization: Mathematical Modeling of the Grafting Process

Pantano, Ioana Agustina Gianoglio; Asteasuain, Mariano; Sarmoria, Claudia; Brandolin, Adriana

doi:10.1002/mren.201200025

Cited by 8 publications

(5 citation statements)

References 21 publications

(47 reference statements)

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“…As stated above in Table 14, Gianoglio Pantano et al [245] developed a very detailed model for grafting of PSty onto PE. Among the concentrations of species calculated by the model, the concentration of poly(ethylene-g-styrene) is calculated using Equation ( 21), and the concentration of grafted PS, denoted as Gr, is obtained from Equation (22).…”

Section: Main Modeling Equations For Polymer Graftingmentioning

confidence: 99%

Modeling and Simulation of Polymerization Processes

2022

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Section: Main Modeling Equations For Polymer Graftingmentioning

confidence: 99%

Modeling and Simulation of Polymerization Processes

2022

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“…The pgf method is a general modeling tool that has been applied to a number of polymer systems. − It is a transform technique, easy to implement and with relatively low computational time requirements. , Briefly, the 2D pgf technique consists of two steps. First, the PBEs are transformed to the 2D pgf domain, leading to balance equations for the 2D pgf of the bivariate distribution.…”

Section: Modeling Of the Complete Bivariate Distributionsmentioning

confidence: 99%

LDPE Production in Tubular Reactors: Comprehensive Model for the Prediction of the Joint Molecular Weight-Short (Long) Chain Branching Distributions

Dietrich

Sarmoria

Brandolin

et al. 2019

Ind. Eng. Chem. Res.

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Good control on molecular properties, and as a consequence on end-use properties, is very important for low-density polyethylene (LDPE) manufacturers. However, the connection between the architecture of polymer chains and the kinetic mechanism and polymerization conditions is still a subject of study. In this work, we present a comprehensive model of the polymerization of ethylene in high-pressure tubular reactors. In addition to the usual predictions of conversion, temperature profiles, and average molecular properties, this model also provides bivariate distributions such as molecular-weight–long-chain branching distribution and molecular-weight–short-chain branching distribution of LDPE produced under different operating conditions. The 2D probability-generating function technique is applied to obtain the bivariate distributions. This is a deterministic technique that allows the calculation of the distributions without any prior assumption of their shape.

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“…This technique has been extensively tested and proved to produce very good results, providing an excellent alternative of high accuracy, simplicity for implementation, and less computational effort for both simulation and optimization applications. [ 40–43 ] The reactor model was coupled with a rheological model based on one originally developed by Pedersen and Ram [ 44 ] for highly branched LDPE, which we modified ad hoc for the present work. Unlike the rheological theories previously described in this section, this rheological model is based on empirical observations of the polymer behavior, represented by simpler mathematical expressions.…”

Section: Introductionmentioning

confidence: 99%

Modeling Low‐Density Polyethylene (LDPE) Production in Tubular Reactors: Connecting Polymerization Conditions with Polymer Microstructure and Rheological Behavior

Dietrich

Sarmoria

Brandolin

et al. 2022

Macro Reaction Engineering

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The production of low‐density polyethylene (LDPE) in high‐pressure tubular reactors is widely studied due to its extensive use worldwide. Reaction conditions have a crucial impact on the polymer molecular architecture, which, in turn, influences the rheological behavior of the polymer in the molten state, a very important variable during subsequent processing. Up to now, the relationships between reactor polymerization conditions, polymer microstructure, and final rheological properties are not completely established, although they could be a very useful tool for rapid process control and optimization. This work presents an integrated model of the high‐pressure polymerization of ethylene in tubular reactors, consisting of the combination of a deterministic model of the tubular reactor that calculates molecular properties of the polymer and an empirical rheological model for branched molecules. The integrated model predicts conversion, temperature, and average molecular properties, as well as the bivariate molecular weight‐long chain branching distribution, the branching index, and the shear viscosity flow curve for LDPE under different operating conditions. Results compare well with experimental data of an actual industrial reactor. Additionally, the effect of polymerization conditions on molecular and rheological properties is analyzed.

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Graft Copolymers for Blend Compatibilization: Mathematical Modeling of the Grafting Process

Cited by 8 publications

References 21 publications

Modeling and Simulation of Polymerization Processes

Modeling and Simulation of Polymerization Processes

LDPE Production in Tubular Reactors: Comprehensive Model for the Prediction of the Joint Molecular Weight-Short (Long) Chain Branching Distributions

Modeling Low‐Density Polyethylene (LDPE) Production in Tubular Reactors: Connecting Polymerization Conditions with Polymer Microstructure and Rheological Behavior

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