POMS Catalyst Composition for Polyurethane VOC Reduction

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Solution Overview

Problem

Titanium silsesquioxane catalysts for polyurethane formation have limited catalytic activity and poor solubility in polyols, making it difficult to create a catalyst masterbatch and resulting in the release of VOCs.

Innovation Solution

A catalyst composition comprising metalized polyhedral oligomeric silsesquioxanes (POMS) reaction products of titanium alkoxides and silsesquioxane silanols, with a higher ratio of silsesquioxane silanols to titanium alkoxides, which are compatible with polyols and can be used to form a polyurethane material without releasing VOCs.

Engineering Contradictions & Design Principles

VSEngineering Contradiction Analysis

1Reliability

If traditional titanium silsesquioxane catalysts are used for polyurethane formation, then the catalytic reaction can proceed, but the catalytic activity is limited and solubility in polyols is poor

Engineering Contradiction:
Improvecatalytic activityVSAvoidsolubility in polyols
Core Design Contradiction:
ReliabilityVSStability of the object's composition

Solution Approach 1:

The patent modifies the chemical structure of titanium silsesquioxane catalysts by changing the ligand environment and oxidation state of titanium. Specifically, it uses titanium(IV) precursors with specific alkoxide ligands that create a more soluble and catalytically active species. The modification involves changing parameters such as the titanium-to-silsesquioxane ratio, the type of alkoxide ligand, and the overall molecular structure to achieve both high solubility and catalytic activity in polyol systems.

Inventive Principle:
Principle #35Parameter changes

Solution Approach 2:

The invention creates a composite catalyst system where titanium centers are integrated with silsesquioxane cage structures. This composite approach combines the solubility benefits of organic ligands with the structural stability of inorganic silsesquioxane cores. The resulting hybrid material exhibits enhanced catalytic activity while maintaining good solubility in polyols, resolving the contradiction between activity and solubility.

Inventive Principle:
Principle #40Composite materials

2Productivity

If catalysts are used to promote polyurethane formation, then the reaction rate increases, but VOCs are released which is environmentally harmful

Engineering Contradiction:
Improvereaction rateVSAvoidVOC emissions
Core Design Contradiction:
ProductivityVSObject-generated harmful factors

Solution Approach 1:

The patent employs titanium(IV) alkoxide complexes with specific ligand structures that eliminate volatile byproducts. By carefully selecting the alkoxide ligands and controlling the reaction conditions, the catalyst promotes urethane formation without releasing VOCs. The key parameter change is using a catalyst system where the ligands are non-volatile and the reaction pathway avoids volatile intermediates or byproducts.

Inventive Principle:
Principle #35Parameter changes

3Stability of the object's composition

If the solubility of catalyst in polyols is improved, then a catalyst masterbatch can be created, but the catalytic activity may be compromised

Engineering Contradiction:
Improvesolubility in polyolsVSAvoidcatalytic activity
Core Design Contradiction:
Stability of the object's compositionVSReliability

Solution Approach 1:

The invention achieves high solubility by modifying the catalyst's molecular structure to include polyol-compatible ligands and by controlling the titanium-to-silsesquioxane ratio. The catalytic activity is maintained through careful selection of titanium(IV) precursors and ligands that preserve the active sites. The key is finding the optimal parameter range where both solubility and activity are maximized simultaneously.

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 POMS catalyst composition exhibits enhanced catalytic activity, improved solubility in polyols, and reduced VOC emissions, allowing for the production of a high-reactivity polyurethane material with a catalyst masterbatch that is storage-stable and environmentally friendly.

Implementation Method 1

a catalyst composition comprising metalized polyhedral oligomeric silsesquioxanes (POMS) compounds wherein: said POMS compounds are reaction products of titanium alkoxides and silsesquioxane silanols

Methodology Applied
Scientific EffectCatalysis: Catalysis

Data Source

PatentEP3063209B1Synthesis and use of metallized polyhedral oligomeric silsequioxane catalyst compositions
Publication Date: 2017.12.27 HUNTSMAN INTERNATIONAL LLC
  • EP3063209B1 patent drawingFigure 1~2
  • EP3063209B1 patent drawingFigure 3
  • EP3063209B1 patent drawing

AI summary

The present invention relates to a method to form a polyurethane material, a catalyst composition comprising metalized polyhedral oligomeric silsesquioxanes (POMS) compounds in combination with reactive compounds suitable to be used to provide a polyurethane material and the polyurethane material obtained using the catalyst composition.