Biaryl Phenoxy Group IV Catalysts for Olefin Polymerization

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Solution Overview

Problem

Existing catalyst systems for olefin polymerization, such as those used for polyethylene and polypropylene production, face challenges in achieving high efficiency, high comonomer incorporation, and narrow molecular weight distribution.

Innovation Solution

A catalyst system comprising a metal-ligand complex of the formula (I), where M is titanium, zirconium, or hafnium, and X is a monodentate or bidentate ligand, is developed. This complex is designed to enhance polymerization efficiency and comonomer incorporation, leading to polymers with high molecular weights and narrow molecular weight distributions.

Engineering Contradictions & Design Principles

VSEngineering Contradiction Analysis

1Productivity

If traditional catalyst systems are used for olefin polymerization, then the polymerization process is well-established and reliable, but the catalyst efficiency and comonomer incorporation are limited

Engineering Contradiction:

Improvecatalyst efficiencyVSAvoidprocess stability

Core Design Contradiction:

ProductivityVSReliability

Solution Approach 1:

The patent changes the chemical parameters of the catalyst system by introducing group 4 transition metals (Ti, Zr, Hf) with specific oxidation states (+2, +3, or +4) coordinated to biaryl phenoxy ligands. This parameter change in metal identity and oxidation state enables higher catalyst efficiency and comonomer incorporation while maintaining reliable polymerization processes through systematic ligand design

Inventive Principle:

Principle #35Parameter changes

Solution Approach 2:

The catalyst system employs composite structures combining group 4 transition metals with biaryl phenoxy ligand frameworks. These composite catalyst systems integrate multiple functional components (metal center, ligand scaffold, substituent groups) to achieve both high productivity through enhanced catalytic activity and reliability through stable composite structures

Inventive Principle:

Principle #40Composite materials

2Quantity of substance

If traditional catalyst systems are used, then the process is simpler and more established, but comonomer incorporation and molecular weight control are insufficient

Engineering Contradiction:

Improvecomonomer incorporationVSAvoidcatalyst structure complexity

Core Design Contradiction:

Quantity of substanceVSDevice complexity

Solution Approach 1:

The biaryl phenoxy ligand system employs local quality modifications through specific substituent groups (R1, R2, R3, R4) at different positions on the ligand framework. These localized chemical modifications at specific sites enable enhanced comonomer incorporation while the overall ligand architecture maintains manageable complexity through targeted rather than universal modification

Inventive Principle:

Principle #3Local quality

Solution Approach 2:

The catalyst system segments the ligand structure into distinct functional regions: the biaryl phenoxy core framework and the variable substituent groups (R1-R4). This segmentation allows independent optimization of each region for comonomer incorporation while keeping the overall catalyst structure organized and controllable

Inventive Principle:

Principle #1Segmentation

3Strength

If high molecular weight polymers are produced, then the polymer quality is improved, but the molecular weight distribution becomes broader

Engineering Contradiction:

Improvemolecular weightVSAvoidmolecular weight distribution

Core Design Contradiction:

StrengthVSManufacturing precision

Solution Approach 1:

The patent utilizes parameter changes in metal oxidation state (+2, +3, or +4) and ligand substitution patterns to control the polymerization mechanism. These parameter changes enable the production of high molecular weight polymers while the specific combination of metal center and biaryl phenoxy ligand maintains a narrow molecular weight distribution through controlled chain growth

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 achieves higher efficiency and comonomer incorporation compared to traditional systems, resulting in polymers with improved molecular weight characteristics and broader applicability.

Implementation Method 1

a catalyst system comprises a metal-ligand complex according to formula (I): wherein M is a metal chosen from titanium, zirconium, or hafnium, the metal having a formal oxidation state of +2, +3, or +4

Methodology Applied

Scientific EffectCatalysis: Catalysis

Implementation Method 2

M is a metal chosen from titanium, zirconium, or hafnium, the metal having a formal oxidation state of +2, +3, or +4; and each X is a monodentate or bidentate ligand independently chosen from unsaturated (C2-C20)hydrocarbon, unsaturated (C2-C50)heterohydrocarbon, (C1-C50)hydrocarbyl, (C6-C50)aryl, (C6-C50)heteroaryl, cyclopentadienyl, substituted cyclopentadienyl, (C4-C12)diene, halogen, —ORC, —N(RN)2, and —NCORC

Methodology Applied

Scientific EffectCoordination chemistry:

Data Source

PatentUS12221508B2Biaryl phenoxy group IV transition metal catalysts for olefin polymerization

Publication Date: 2025.02.11 DOW GLOBAL TECHNOLOGIES LLC

AI summary

Catalyst systems for olefin polymerization include a metal-ligand complex of a general formula (I). The metal-ligand complex of formula (I) is a transition metal complex of titanium, zirconium, or hafnium, in which the transition metal is coordinated with a biaryl phenoxy ligand structure. Olefin polymerization processes include contacting ethylene and optionally one or more (C3-C12) alpha-olefins in the presence of the catalyst system to produce an ethylene-based polymer or copolymer.