Ti-Si-O Catalyst for Hydrogen Peroxide Activation

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Solution Overview

Problem

There is a need for improved catalysts for hydrogen peroxide activation, particularly in terms of catalytic efficiency in epoxidation reactions and other oxidation reactions based on hydrogen peroxide conversion.

Innovation Solution

A catalyst comprising Ti, Si, and O, with specific properties including water adsorption, concentration of bridging μ2 η2-peroxo species per Ti, and an activation factor calculated from these properties, which enhances catalytic activity and selectivity.

Engineering Contradictions & Design Principles

VSEngineering Contradiction Analysis

1Productivity

If conventional titanosilicate catalysts are used for hydrogen peroxide activation, then catalytic activity is achieved, but catalytic efficiency and selectivity in epoxidation reactions are insufficient

Engineering Contradiction:

Improvecatalytic efficiencyVSAvoidcatalytic selectivity

Core Design Contradiction:

ProductivityVSReliability

Solution Approach 1:

The patent applies parameter changes by optimizing the water adsorption capacity and peroxo species concentration to specific ranges (water adsorption: 1-10 wt.-%, peroxo species concentration: 200-1200 mmol/mol Ti) to simultaneously improve catalytic efficiency and selectivity in epoxidation reactions

Inventive Principle:

Principle #35Parameter changes

Solution Approach 2:

The patent employs composite materials by combining Ti, Si, and O in a specific titanosilicate structure with optimized water adsorption and peroxo species characteristics, creating a catalyst that achieves both high productivity and reliability in oxidation reactions

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 catalyst exhibits improved catalytic activity and selectivity in hydrogen peroxide activation, particularly in epoxidation reactions, due to its unique physical and chemical properties.

Implementation Method 1

a water adsorption (W), preferably determined according to Reference Example 1.1

Methodology Applied

Scientific EffectAdsorption: Adsorption

Implementation Method 2

A catalyst for hydrogen peroxide activation, wherein the catalyst comprises Ti, Si, and O

Methodology Applied

Scientific EffectCatalysis: Catalysis

Implementation Method 3

a concentration (C) of bridging μ2 η2-peroxo species per Ti in the H2O2-activated catalyst as determined by quantitative 17O NMR spectroscopy

Methodology Applied

Scientific EffectNuclear magnetic resonance:

Data Source

PatentUS20250025864A1Catalyst for hydrogen peroxide activation

Publication Date: 2025.01.23 BASF SE

AI summary

The present invention relates to a catalyst for hydrogen peroxide activation, wherein the catalyst comprises Ti, Si, and O, wherein the catalyst displays a water adsorption (W), a concentration (C) of bridging μ2 η2-peroxo species per Ti in the H2O2-activated catalyst as determined by quantitative 17O NMR spectroscopy, and a specific activation factor (A) according to formula I, wherein in accordance with formula I, the activation factor is the multiplication product of the water adsorption and the concentration of bridging μ2 η2-peroxo species per Ti in the H2O2-activated catalyst:A=W×C (I).The present invention further relates to a method for the preparation of a catalyst molding as well as to a catalyst molding comprising a catalyst for hydrogen peroxide activation obtainable or obtained by said process. Yet further, the present invention relates to a process for the activation of hydrogen peroxide, and to the use of the inventive catalyst or of the inventive catalyst molding in a reaction involving C—C bond formation and/or conversion.