Half-Metallocene Catalysts for Polyolefin Molecular Weight Distribution

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Solution Overview

Problem

Current catalyst systems struggle to produce polyolefins with a broad molecular weight distribution and low long chain branching, which are difficult to replicate with commercially viable alternatives to chromium-based catalysts.

Innovation Solution

Development of novel half-metallocene compounds with a heteroatom-containing ligand bound to the transition metal, used in catalyst compositions that include a contact product of these hybrid metallocene compounds and an activator, along with an organoaluminum compound, to achieve specific polymerization outcomes.

Engineering Contradictions & Design Principles

VSEngineering Contradiction Analysis

1Manufacturing precision

If chromium-based catalyst system is used, then broad molecular weight distribution and low long chain branching are achieved, but the catalyst contains chromium which is toxic and requires special handling

Engineering Contradiction:
Improvemolecular weight distributionVSAvoidchromium toxicity
Core Design Contradiction:
Manufacturing precisionVSObject-affected harmful factors

Solution Approach 1:

The patent replaces the toxic chromium-based catalyst with a non-toxic, cost-effective metallocene catalyst system. The metallocene catalyst, while having different inherent properties, is designed to achieve the desired polymer characteristics without the environmental and handling issues of chromium, effectively substituting a harmful long-lived catalyst with a safer alternative

Inventive Principle:
Principle #27Cheap short-living objects (Disposable)

Solution Approach 2:

The patent modifies the catalyst composition by combining metallocene catalyst with specific electron-donating compounds and Lewis bases. This parameter change in the catalyst system allows achieving broad molecular weight distribution similar to chromium catalysts but without the toxicity, by adjusting the chemical environment and reaction conditions

Inventive Principle:
Principle #35Parameter changes

2Manufacturing precision

If metallocene catalysts are used, then narrow molecular weight distribution is achieved, but the long chain branching is either too little or too much

Engineering Contradiction:
Improvemolecular weight distributionVSAvoidlong chain branching control
Core Design Contradiction:
Manufacturing precisionVSAdaptability or versatility

Solution Approach 1:

The patent introduces electron-donating compounds and Lewis bases as intermediary substances that mediate between the metallocene catalyst and the olefin monomer. These intermediaries modify the catalyst's electronic environment, enabling it to produce polymers with both narrow molecular weight distribution and controlled long chain branching, effectively bridging the gap between metallocene and chromium catalyst performance

Inventive Principle:
Principle #24Intermediary (Mediator)

Solution Approach 2:

The patent creates a composite catalyst system by combining metallocene compound with electron-donating compounds and Lewis bases. This composite catalyst exhibits synergistic effects, achieving the narrow molecular weight distribution characteristic of metallocenes while gaining the long chain branching control typically associated with chromium catalysts

Inventive Principle:
Principle #40Composite materials

3Manufacturing precision

If Ziegler-type catalyst systems are used, then narrow molecular weight distribution is achieved, but substantially no long chain branching is present

Engineering Contradiction:
Improvemolecular weight distributionVSAvoidlong chain branching
Core Design Contradiction:
Manufacturing precisionVSAdaptability or versatility

Solution Approach 1:

The patent changes the chemical parameters of the catalyst system by incorporating electron-donating compounds and Lewis bases with the metallocene catalyst. This parameter modification enables the catalyst to produce polymers with both narrow molecular weight distribution and appropriate long chain branching, overcoming the limitation of Ziegler-type catalysts that produce polymers with substantially no long chain branching

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 compositions effectively produce polyolefins with desired molecular weight distribution and low long chain branching, offering a non-chromium alternative for ethylene-based homopolymers and copolymers with enhanced properties.

Implementation Method 1

The present invention relates to half-metallocene compounds with a heteroatom-containing ligand bound to the transition metal, and catalyst compositions employing such hybrid compounds

Methodology Applied
Scientific EffectCatalysis: Catalysis

Data Source

PatentEP2310124B1Half-metallocene catalyst compositions and their polymer products
Publication Date: 2014.11.26 CHEVRON PHILLIPS CHEMICAL COMPANY LP
  • EP2310124B1 patent drawingFigure 1
  • EP2310124B1 patent drawingFigure 2
  • EP2310124B1 patent drawingFigure 3

AI summary

The present invention provides polymerization catalyst compositions employing half-metallocene compounds with a heteroatom-containing ligand bound to the transition metal. Methods for making these hybrid metallocene compounds and for using such compounds in catalyst compositions for the polymerization and copolymerization of olefins are also provided.