Ziegler-Natta Catalyst Internal Electron Donor Design

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Solution Overview

Problem

Current Ziegler-Natta catalyst compositions for producing olefin-based polymers face challenges in achieving improved polymerization kinetics, catalyst lifetime, stereoselectivity, and hydrogen response, which are crucial for producing polymers with desired properties and efficient production processes.

Innovation Solution

A catalyst system incorporating a magnesium moiety, a titanium moiety, and an internal electron donor with a specific chemical structure, which provides a longer catalyst lifetime and more uniform polymerization kinetics, enhancing stereoselectivity and hydrogen response without the need for phthalate-based compounds.

Engineering Contradictions & Design Principles

VSEngineering Contradiction Analysis

1Duration of action of stationary object

If conventional Ziegler-Natta catalyst compositions are used, then polymer production is achieved, but catalyst lifetime is limited and polymerization kinetics are non-uniform

Engineering Contradiction:
Improvecatalyst lifetimeVSAvoidpolymerization kinetics uniformity
Core Design Contradiction:
Duration of action of stationary objectVSProductivity

Solution Approach 1:

The patent modifies the chemical structure of the internal electron donor by changing parameters such as the hydrocarbyl group size (5-20 carbon atoms), branching structure, and position on the phenylene ring. These parameter changes in the donor structure optimize both catalyst lifetime and polymerization kinetics uniformity, resolving the contradiction between extended catalyst life and maintained productivity.

Inventive Principle:
Principle #35Parameter changes

Solution Approach 2:

The catalyst composition combines multiple components (magnesium support, titanium procatalyst, and specifically structured internal electron donor) into a composite system. This composite approach allows the different components to work synergistically, where the internal electron donor with optimized structure extends catalyst lifetime while the overall composite maintains uniform polymerization kinetics.

Inventive Principle:
Principle #40Composite materials

2Reliability

If conventional internal electron donors are used, then catalyst activity is maintained, but stereoselectivity deteriorates over time

Engineering Contradiction:
ImprovestereoselectivityVSAvoidcatalyst lifetime
Core Design Contradiction:
ReliabilityVSDuration of action of stationary object

Solution Approach 1:

The patent changes key parameters of the internal electron donor structure, specifically using hydrocarbyl groups with 5-20 carbon atoms in branched or cyclic configurations. These structural parameter changes enhance the donor's ability to maintain stereoselectivity throughout the catalyst's operational life, resolving the trade-off between reliability and duration.

Inventive Principle:
Principle #35Parameter changes

Solution Approach 2:

Instead of accepting that stereoselectivity naturally decays over catalyst lifetime, the invention inverts this trend by designing an internal electron donor that actively maintains or enhances stereoselectivity throughout extended operation. The inverted approach challenges the conventional degradation pattern and achieves improved reliability over time.

Inventive Principle:
Principle #13The other way round (Inversion)

3Productivity

If catalyst activity is increased, then polymer production efficiency improves, but overheating and rapid activity decay occur

Engineering Contradiction:
Improvepolymer production efficiencyVSAvoidoverheating and activity decay
Core Design Contradiction:
ProductivityVSObject-affected harmful factors

Solution Approach 1:

The internal electron donor acts as an intermediary between the titanium procatalyst and the polymerization process. It mediates the catalytic activity to achieve high productivity while preventing harmful effects like overheating and rapid decay. The donor structure with specific hydrocarbyl groups (5-20 carbons, branched or cyclic) provides this moderating influence, allowing efficient production without the harmful side effects.

Inventive Principle:
Principle #24Intermediary (Mediator)

Solution Approach 2:

The optimized internal electron donor provides beforehand cushioning against the harmful effects of high catalyst activity. By pre-configuring the donor structure with appropriate hydrocarbyl groups, the system prepares in advance to prevent overheating and activity decay, allowing sustained high productivity without encountering these harmful factors.

Inventive Principle:
Principle #11Beforehand cushioning (Prior cushioning)

4Manufacturing precision

If hydrogen response is enhanced, then polymer molecular weight control improves, but catalyst stability deteriorates

Engineering Contradiction:
Improvemolecular weight controlVSAvoidcatalyst stability
Core Design Contradiction:
Manufacturing precisionVSStability of the object's composition

Solution Approach 1:

The patent modifies parameters of the internal electron donor, specifically the hydrocarbyl group structure (5-20 carbon atoms, branched or cyclic), to optimize the balance between hydrogen response and catalyst stability. These parameter changes allow the catalyst to maintain both improved molecular weight control through enhanced hydrogen response and sustained stability throughout the polymerization process.

Inventive Principle:
Principle #35Parameter changes

Applied Scientific Principles

This section explains which scientific principles are used to turn an abstract innovation direction into a practical engineering solution.

Function Achieved in This Case

The catalyst system produces polyolefin polymers with desired properties and improved polymerization efficiency, maintaining high activity levels and stereoselectivity, while avoiding the limitations of previous catalysts, such as rapid activity decay and overheating.

Implementation Method 1

The catalyst composition includes an internal electron donor having a specific chemical structure that provides the catalyst composition with a relatively long lifetime

Methodology Applied
Scientific EffectElectron donation: Oxidation

Implementation Method 2

The catalyst system is capable of producing polyolefin polymers having different and desired properties

Methodology Applied
Scientific EffectCatalysis: Catalysis

Implementation Method 3

Ziegler-Natta catalyst compositions for the production of olefin-based polymers

Methodology Applied
Scientific EffectCoordination polymerization: Chemical Bonding

Data Source

PatentUS11945896B2Catalyst composition and system having extended lifetime
Publication Date: 2024.04.02 WR GRACE & CO CONN
  • US11945896B2 patent drawing
  • US11945896B2 patent drawing
  • US11945896B2 patent drawing

AI summary

A Ziegler-Natta catalyst composition is disclosed. The catalyst composition includes an internal electron donor with improved polymerization kinetics, a long lifetime, improved stereoselectivity and/or improved hydrogen response.