Bridged Metallocene Catalysts for High Molecular Weight Olefin Polymerization

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Solution Overview

Problem

Current metallocene compounds used for polymerizing olefins, such as propylene, face limitations in achieving high yields and producing polymers with very high molecular weights, particularly at elevated temperatures.

Innovation Solution

Development of bridged chiral bis(indenyl)metallocene compounds with specific substitutions at positions 2, 4, 5, and 6, combined with a catalyst system involving these compounds, alumoxanes, and organoaluminum compounds, to enhance polymerization efficiency and molecular weight of olefin polymers.

Engineering Contradictions & Design Principles

VSEngineering Contradiction Analysis

1Productivity

If conventional metallocene compounds are used for polymerizing olefins at elevated temperatures, then polymerization can proceed, but the yields are limited and molecular weights are not very high

Engineering Contradiction:
Improvepolymerization yieldVSAvoidmolecular weight
Core Design Contradiction:
ProductivityVSReliability

Solution Approach 1:

The patent modifies the chemical structure parameters of metallocene compounds by introducing specific substituents at defined positions (2, 4, 5, 6) on the indenyl moieties. This structural parameter change creates a new class of compounds with enhanced catalytic activity and selectivity, enabling high polymerization yields and very high molecular weights even at elevated temperatures

Inventive Principle:
Principle #35Parameter changes

Solution Approach 2:

The patent applies local quality by introducing specific functional groups and substituents at specific positions (2, 4, 5, 6) of the indenyl moieties. Each position has a tailored substituent that contributes specific electronic or steric effects, creating localized areas of enhanced reactivity and selectivity that collectively improve polymerization performance

Inventive Principle:
Principle #3Local quality

2Reliability

If conventional metallocene compounds are used for polymerizing olefins, then polymerization occurs, but molecular weights are not very high

Engineering Contradiction:
Improvemolecular weightVSAvoidpolymerization yield
Core Design Contradiction:
ReliabilityVSProductivity

Solution Approach 1:

The patent changes the structural parameters of the metallocene compounds by introducing specific substituents at positions 2, 4, 5, and 6 on the indenyl moieties. This parameter modification creates a new class of compounds that maintain high catalytic activity while producing polymers with very high molecular weights

Inventive Principle:
Principle #35Parameter changes

Solution Approach 2:

The patent creates a composite catalytic system combining the specially structured metallocene compound with alumoxane and organoaluminum compounds. This composite catalyst system synergistically enhances both polymerization yield and molecular weight, achieving performance levels not attainable with single-component catalysts

Inventive Principle:
Principle #40Composite materials

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 new metallocene compounds and catalyst system significantly improve polymerization yields and molecular weights of olefin polymers, including propylene, even at high temperatures, making them suitable for industrial applications.

Implementation Method 1

Metallocene compounds are well known in the art as catalyst components for the polymerization of olefins

Methodology Applied
Scientific EffectCatalysis: Catalysis

Data Source

PatentEP2004664B1Metallocene compounds
Publication Date: 2016.12.14 BASELL POLYOLEFINE GMBH
  • EP2004664B1 patent drawing
  • EP2004664B1 patent drawing
  • EP2004664B1 patent drawing

AI summary

A bridged metallocene compound of formula (I) wherein: M is a transition metal; X, is a hydrogen atom, a halogen atom, or a hydrocarbon group optionally containing heteroatoms; L is a divalent bridging group; R1 is a linear C1-C40 hydrocarbon radical optionally containing heteroatoms; T1 and T4 are a oxygen, sulfur atom or a C(R18)3 group; wherein R18, are hydrogen atoms or a C1-C40 hydrocarbon radical; T3 and T4 are C1-C40 hydrocarbon radicals; R4 is a hydrogen atom or a C1-C40 hydrocarbon radical; W is an aromatic 5 or 6 membered ring.