Macromol. Theory Simul. 4/2016

Touloupidis, Vasileios; Wurnitsch, Christof; Albunia, Alexandra R.; Galgali, Girish

doi:10.1002/mats.201670010

Cited by 4 publications

(15 citation statements)

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“…The corresponding rheology parameters, referring to polyethylene, are reported in Table 5. [ 4 ] In Figure 3, the constructed MWDs together with the corresponding prediction of complex viscosity is presented. These results clearly depict the significance of the MWD configuration on the rheological properties.…”

Section: Resultsmentioning

confidence: 99%

“…In literature, depending on the desired detail level, various empirical correlations as well as theoretical models can be found for the mathematical connection of structural polymer characteristics to rheological properties. A list of proposed rheology correlations considering the average molecular weight is presented in Table 1 (details can be further found in the work of Touloupidis et al [ 4 ] ).…”

Section: Introductionmentioning

confidence: 99%

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A unified polymer reaction engineering methodology for catalytic olefin polymerization: From reaction conditions and catalyst reaction performance to molecular and rheological properties for forward, reverse engineering and deconvolution applications

Touloupidis

2023

Can J Chem Eng

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This work presents a unified polymer reaction engineering methodology for the catalytic olefin polymerization process. The proposed modelling approach offers a modelling pathway from the polymerization recipe to production rate and polymer microstructure, and finally to rheological properties. Furthermore, this work introduces for the first time the constraint of the actual reaction performance of the polymerization catalyst in the inverse rheology and microstructural deconvolution problem, limiting the solution only to the most realistic potential molecular weight distributions (MWDs) that a specific catalyst can produce. This approach can be applied for both single‐ and multi‐site catalysts, providing not a potential MWD but the unique one that the selected catalyst can offer under given polymerization conditions. Depending on the available catalyst reaction performance insight, the constraint can vary and include from the number of active sites in use to the exact kinetic parameters of each site type. The potential of the proposed methodology is highlighted within a series of indicative examples, including forward, reverse engineering and deconvolution applications.

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Section: Resultsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

A unified polymer reaction engineering methodology for catalytic olefin polymerization: From reaction conditions and catalyst reaction performance to molecular and rheological properties for forward, reverse engineering and deconvolution applications

Touloupidis

2023

Can J Chem Eng

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“…An example of a second level property would be melt index that is a result of the given melt viscosity for the shear rate range developed during flow under defined conditions. [4] As it can be easily understood, the polymer microstructure acts as the common link between the reaction conditions and the polymer properties. Polyethylene microstructure refers to the MWD, CCD, or short-chain branching distribution (SCBD), comonomer sequence length distribution (CSLD), and longchain branching distribution (LCBD).…”

Section: Connection Of Second Level Properties To the First Level Onesmentioning

confidence: 99%

An Integrated PRE Methodology for Capturing the Reaction Performance of Single‐ and Multi‐site Type Catalysts Using Bench‐Scale Polymerization Experiments

Touloupidis

Rittenschober

Paulik

2020

Macro Reaction Engineering

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applications (from building and construction to automotive, packaging, and medical applications). The humble polymer consisting of building blocks of ethylene, propylene and α-olefins is actually far from being simple, able to be formulated under infinite combinations of the inter-and intramolecular distributions that describe it. Polymer reaction engineering (PRE) offers the theoretical background for describing the catalytic olefin polymerization process. The scope is to develop a modeling pathway from polymerization process conditions to polymer microstructure and end-use properties. This enables us not only to better understand the process but also to establish a mathematical tool for predicting the reactor and the polymer performance under different reaction conditions. This PRE pathway consists of concrete and well-defined steps (Figure 1): [3] The scope of polymer reaction engineering (PRE) is to develop a modeling pathway from polymerization process conditions to polymer microstructure and end-use properties. The catalyst is the heart of the low-pressure polymerization and its kinetic parameters constitute the cornerstone of this pathway, without which none of the modeling steps can be established. In this work, an integrated PRE methodology for capturing the reaction performance of single-and multi-site type catalysts is presented. According to the methodology proposed, the catalyst kinetic parameters are estimated based on a series of targeted bench-scale polymerization experiments and characterization combined with polymer reaction engineering modeling.

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“…[ 6 ] MFI is the mass of a polymer in grams, flowing in 10 min through a capillary under specified geometry, temperature, and load conditions. [ 8,9,25 ] A relationship between MFI and viscosity can be derived from the Hagen–Poiseuille equation for flow through an orifice (see Equation ()). [ 26 ]

MFI = \frac{kπσP R^{4}}{8 ηL}

where k is 600 s/10 min, σ is the polymer density, P is the pressure, R is the radius of the die orifice, L is the length of the orifice, and η is the melt viscosity.…”

Section: Introductionmentioning

confidence: 99%

“…[6] MFI is the mass of a polymer in grams, flowing in 10 min through a capillary under specified geometry, temperature, and load conditions. [8,9,25] A relationship between MFI and viscosity can be derived from the Hagen-Poiseuille equation for flow through an orifice (see Equation (7)). [26]…”

Section: Introductionmentioning

confidence: 99%

Mixing rules for high density polyethylene‐polypropylene blends

Stewart,

Stonecipher,

Ning

et al. 2023

Can J Chem Eng

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High‐density polyethylene (HDPE) and polypropylene (PP) blends of varying composition have been evaluated in an effort to establish a mixing rule for melt flow index (MFI). In addition, a previously established relationship between MFI and Mwtrue¯ for linear polymers was also evaluated for these blends. It was found that a parabolic relationship existed between the composition (by weight fraction) and MFI and that the MFI and Mwtrue¯ relationship held for this set of polymeric materials. Additionally, all properties and relationships were evaluated over five extrusion cycles, which showed minimal to no deviations over the five cycles.

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Macromol. Theory Simul. 4/2016

Cited by 4 publications

References 0 publications

A unified polymer reaction engineering methodology for catalytic olefin polymerization: From reaction conditions and catalyst reaction performance to molecular and rheological properties for forward, reverse engineering and deconvolution applications

A unified polymer reaction engineering methodology for catalytic olefin polymerization: From reaction conditions and catalyst reaction performance to molecular and rheological properties for forward, reverse engineering and deconvolution applications

An Integrated PRE Methodology for Capturing the Reaction Performance of Single‐ and Multi‐site Type Catalysts Using Bench‐Scale Polymerization Experiments

Mixing rules for high density polyethylene‐polypropylene blends

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