Metallocene Catalyst for High Molecular Weight Olefin Polymers

Resolve Bottlenecks,
Find Innovative Solutions
Generate Solutions

Solution Overview

Problem

Current metallocene catalysts face challenges in maintaining high polymerization activity when supported on a surface and in the presence of hydrogen, leading to suboptimal production of olefin-based polymers with high molecular weight and wide molecular weight distribution.

Innovation Solution

A metallocene compound with a specific chemical structure, represented by Chemical Formula 1, is used, which includes an indenoindole derivative and a cyclopentadiene derivative crosslinked by a bridge, exhibiting high polymerization activity even when supported, and low hydrogen reactivity, thereby stabilizing beta-hydrogen and forming a Lewis acid-base complex with cocatalysts to enhance catalyst activity and molecular weight distribution.

Engineering Contradictions & Design Principles

VSEngineering Contradiction Analysis

1Reliability

If conventional metallocene catalysts are supported on a surface to improve catalyst stability and reusability, then catalyst reliability is improved, but polymerization activity decreases

Engineering Contradiction:
Improvecatalyst stabilityVSAvoidpolymerization activity
Core Design Contradiction:
ReliabilityVSProductivity

Solution Approach 1:

The patent modifies the chemical structure of the metallocene catalyst by introducing specific substituents (such as -CH 2SiMe 3, -CH 2SiMe 2Ph, -CH 2SiPh 3) on the cyclopentadienyl rings and using bridged structures. These structural parameter changes enhance the catalyst's electronic and steric properties, allowing it to maintain high polymerization activity even when supported on solid carriers like silica gel or alumina.

Inventive Principle:
Principle #35Parameter changes

2Stability of the object's composition

If conventional metallocene catalysts are used in the presence of hydrogen to control molecular weight, then polymer molecular weight is reduced to desired levels, but catalyst activity and polymer production efficiency decrease

Engineering Contradiction:
Improvemolecular weight controlVSAvoidpolymer production efficiency
Core Design Contradiction:
Stability of the object's compositionVSProductivity

Solution Approach 1:

The patent introduces specific local structural features into the metallocene catalyst, including bridged structures (such as dimethylsilyl bridges) and specific substituents at particular positions on the cyclopentadienyl rings. These localized structural modifications create unique electronic and steric environments at the catalyst active site that reduce hydrogen coordination strength, allowing the catalyst to maintain high activity while still controlling polymer molecular weight through other mechanisms.

Inventive Principle:
Principle #3Local quality

3Adaptability or versatility

If metallocene catalyst structure is modified to improve copolymerization ability with alpha-olefins having large steric hindrance, then copolymerization performance is improved, but catalyst complexity increases

Engineering Contradiction:
Improvecopolymerization abilityVSAvoidcatalyst structure complexity
Core Design Contradiction:
Adaptability or versatilityVSDevice complexity

Solution Approach 1:

The patent creates composite catalyst structures by combining metallocene cores with bridged ligand systems and specific substituents. The bridged structure (such as -SiMe 2- bridges between cyclopentadienyl rings) creates a rigid framework that positions substituents in specific spatial arrangements. This composite structure provides both the electronic properties needed for high copolymerization ability and the steric configuration needed to accommodate bulky alpha-olefin comonomers like 1-octene and 1-decene.

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 metallocene compound achieves high polymerization activity and produces olefin-based polymers with high molecular weight and wide molecular weight distribution, maintaining activity over a long residence time in a reactor and allowing for efficient copolymerization, even in the presence of hydrogen.

Implementation Method 1

forming a Lewis acid-base complex with cocatalysts to enhance catalyst activity

Methodology Applied
Scientific EffectLewis acid-base complex formation: Chemical Bonding

Implementation Method 2

stabilizing beta-hydrogen and forming a Lewis acid-base complex with cocatalysts

Methodology Applied
Scientific EffectBeta-hydrogen stabilization: Chemical Bonding

Data Source

PatentEP3138846B1Metallocene compound, catalyst composition comprising same, and method for preparing olefin-based polymer using same
Publication Date: 2019.03.06 LG CHEM LTD
  • EP3138846B1 patent drawing
  • EP3138846B1 patent drawing
  • EP3138846B1 patent drawing

AI summary

Provided are a novel metallocene compound, a catalyst composition including the same, and a method of preparing an olefin-based polymer using the same. The metallocene compound according to the present invention or the catalyst composition including the same may be used for the preparation of an olefin-based polymer, may have excellent polymerization ability, and may produce an olefin-based polymer having a high molecular weight. In particular, when the metallocene compound according to the present invention is employed, an olefin-based polymer having a high molecular weight may be polymerized because the metallocene compound shows high polymerization activity even when it is supported on a support and maintains high activity even in the presence of hydrogen because of its low hydrogen reactivity.