Titanium Alkoxide Catalyst Melting Point Reduction via Alcohol

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Solution Overview

Problem

Titanium and zirconium alkoxides require high temperatures to maintain a molten state, leading to energy inefficiency, color degradation of products, and formation of inactive titanium dioxide, which complicates aromatic carbonate production and handling.

Innovation Solution

Combining titanium or zirconium alkoxides with 0.1 to 50 wt.% of an alcohol reduces their melting temperature, allowing them to be stored and transported as a liquid at lower temperatures without introducing new chemicals into the production process.

Engineering Contradictions & Design Principles

VSEngineering Contradiction Analysis

1Reliability

If titanium or zirconium alkoxide is held in a molten state at high temperature, then it can be used as a catalyst in aromatic carbonate production, but energy consumption increases substantially

Engineering Contradiction:
Improvecatalytic activityVSAvoidenergy consumption
Core Design Contradiction:
ReliabilityVSUse of energy by moving object

Solution Approach 1:

The patent changes the physical state parameter of the catalyst from solid to liquid by adding alcohol, allowing it to remain in a liquid state at lower temperatures (below melting point) while maintaining catalytic activity. This resolves the contradiction by enabling catalytic function without requiring high temperature energy input.

Inventive Principle:
Principle #35Parameter changes

Solution Approach 2:

Alcohol acts as an intermediary substance that modifies the physical properties of titanium or zirconium alkoxide. The alcohol forms a composition with the alkoxide, lowering its melting point and enabling it to remain liquid at lower temperatures while still providing catalytic activity in aromatic carbonate production.

Inventive Principle:
Principle #24Intermediary (Mediator)

2Reliability

If titanium or zirconium alkoxide is held in a molten state at high temperature for a long period, then it can be used as a catalyst, but the product color tone is impaired

Engineering Contradiction:
Improvecatalytic activityVSAvoidproduct discoloration
Core Design Contradiction:
ReliabilityVSObject-generated harmful factors

Solution Approach 1:

The patent changes the temperature parameter at which the catalyst operates, allowing it to function at lower temperatures (below its normal melting point) through the addition of alcohol. This reduced temperature exposure prevents thermal degradation and color formation in the aromatic carbonate product while maintaining catalytic activity.

Inventive Principle:
Principle #35Parameter changes

3Reliability

If titanium or zirconium alkoxide is held in a molten state at high temperature, then it can be used as a catalyst, but heat stability decreases and titanium dioxide forms

Engineering Contradiction:
Improvecatalytic activityVSAvoidheat stability
Core Design Contradiction:
ReliabilityVSStability of the object's composition

Solution Approach 1:

The patent fundamentally changes the temperature parameter by which the catalyst operates, enabling it to function at lower temperatures through alcohol addition. This temperature reduction prevents thermal decomposition and hydrolysis reactions that lead to titanium dioxide formation, thereby maintaining both catalytic activity and compositional stability.

Inventive Principle:
Principle #35Parameter changes

Solution Approach 2:

Alcohol serves as a stabilizing intermediary that forms a composition with titanium or zirconium alkoxide, protecting it from thermal decomposition and hydrolysis. This composition maintains the alkoxide in a stable, active form at lower temperatures, preventing the formation of inactive titanium dioxide.

Inventive Principle:
Principle #24Intermediary (Mediator)

4Reliability

If titanium or zirconium alkoxide is held in a molten state at high temperature, then it can be used as a catalyst, but handling and storage becomes complicated

Engineering Contradiction:
Improvecatalytic activityVSAvoidhandling and storage
Core Design Contradiction:
ReliabilityVSEase of operation

Solution Approach 1:

The patent changes the melting point parameter of the catalyst by adding alcohol, allowing it to remain in a liquid state at lower temperatures. This enables easier handling and storage without requiring high-temperature maintenance equipment, while still providing the necessary catalytic activity for aromatic carbonate production.

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

This approach simplifies handling and storage, extends the shelf life of the alkoxide composition, and prevents the formation of inactive titanium dioxide, ensuring efficient and stable catalytic activity for aromatic carbonate production.

Implementation Method 1

Combining titanium or zirconium alkoxides with 0.1 to 50 wt.% of an alcohol reduces their melting temperature, allowing them to be stored and transported as a liquid at lower temperatures

Methodology Applied
Scientific EffectSolvation: Solvation

Implementation Method 2

Titanium or zirconium alkoxides or aryloxides may be used as catalysts in a variety of chemical production processes. For example, a titanium or zirconium alkoxide or aryloxide may be used as a catalyst in an aromatic carbonate production process.

Methodology Applied
Scientific EffectCatalysis: Catalysis

Implementation Method 3

In a first step, transesterification of the dialkyl carbonate with the aryl alcohol takes place to yield alkyl aryl carbonate (also an aromatic carbonate) and alkyl alcohol.

Methodology Applied
Scientific EffectTransesterification: Chemical Bonding

Implementation Method 4

In a second step, disproportionation of the alkyl aryl carbonate takes place to yield diaryl carbonate and dialkyl carbonate.

Methodology Applied
Scientific EffectDisproportionation: Chemical Bonding

Data Source

PatentEP3244997B1Use of composition comprising titanium or zirconium alkoxide in aromatic carbonate preparation process
Publication Date: 2019.08.07 SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ BV

AI summary

The invention relates to a process for preparing an aromatic carbonate, comprising reacting a dialkyl carbonate or an alkyl aryl carbonate with an aryl alcohol or an alkyl aryl carbonate, resulting in an aromatic carbonate which is an alkyl aryl carbonate or a diaryl carbonate, wherein a composition comprising a titanium or zirconium alkoxide or aryloxide, wherein the alkoxy group in the titanium or zirconium alkoxide is a group of formula R-0~ wherein R is an alkyl group having 1 to 4 carbon atoms and the aryloxy group in the titanium or zirconium aryloxide is a group of formula Ar-0~ wherein Ar is an aryl group having 6 to 12 carbon atoms, and wherein the composition additionally comprises 0.1 to 50 wt. % of an alcohol, based on the total weight of the composition, is mixed with an alcohol or an organic carbonate, and the mixture thus obtained is contacted with said dialkyl carbonate or alkyl aryl carbonate and aryl alcohol or alkyl aryl carbonate to catalyze the preparation of the aromatic carbonate. Further, the invention relates to a process for making a polycarbonate from the diaryl carbonate thus prepared.