Bifunctional Catalyst for Ethanol to Butadiene Conversion

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Solution Overview

Problem

Current processes for producing 1,3-butadiene from ethanol, such as the one-step and two-step processes, face challenges in achieving high selectivity and yield, particularly due to the limitations of catalysts like silica-supported tantalum oxide, which are inactive in ethanol oxidation to acetaldehyde and require additional components for dehydrogenation, and the need for catalyst regeneration and sufficient ethanol feed concentration for commercial-scale viability.

Innovation Solution

A two-stage process utilizing a first stage catalyst comprising elements like zinc and tantalum, followed by a second stage catalyst with similar elements, to convert ethanol directly to both acetaldehyde and 1,3-butadiene, allowing for high selectivity and yield without requiring acetaldehyde in the first stage feed, and enabling catalyst regeneration and versatile catalyst support options.

Engineering Contradictions & Design Principles

VSEngineering Contradiction Analysis

1Reliability

If silica-supported tantalum oxide catalyst is used for 1,3-butadiene production, then the catalyst structure is simple and stable, but the catalyst is inactive in ethanol oxidation to acetaldehyde requiring additional dehydrogenation components

Engineering Contradiction:
Improvecatalyst activity in ethanol oxidationVSAvoidcatalyst composition
Core Design Contradiction:
ReliabilityVSDevice complexity

Solution Approach 1:

The patent combines the dehydrogenation function (MA1: Zn, Cu, Ag, Au, Cr, Ce, Mg, Pt, Pd, Cd, Fe, Mn, Ru, Co, or Ni) and the 1,3-butadiene synthesis function (MB1: Ta, Zr, Nb, Hf, Ti, or Sn) into a single bifunctional catalyst system. This merging eliminates the need for separate catalysts in the two-step process, directly converting ethanol to 1,3-butadiene in one reactor while maintaining catalytic stability and activity.

Inventive Principle:
Principle #5Merging (Combining)

Solution Approach 2:

The catalyst system performs multiple functions simultaneously: MA1 components catalyze ethanol dehydrogenation to acetaldehyde, while MB1 components catalyze the conversion of ethanol and acetaldehyde to 1,3-butadiene. This multi-functionality allows a single catalyst to replace what previously required two separate catalytic systems, improving process efficiency without excessive complexity.

Inventive Principle:
Principle #6Universality (Multi-functionality)

2Productivity

If one-step direct conversion process is used, then the process is simplified, but the selectivity and yield of 1,3-butadiene are insufficient compared to two-step process

Engineering Contradiction:
Improve1,3-butadiene yield and selectivityVSAvoidprocess structure
Core Design Contradiction:
ProductivityVSDevice complexity

Solution Approach 1:

The patent merges the two separate process steps (ethanol to acetaldehyde, then acetaldehyde to 1,3-butadiene) into a single integrated reaction step using a bifunctional catalyst. This maintains the simplicity of a one-step process while achieving the high selectivity and yield of the two-step process by incorporating both dehydrogenation and 1,3-butadiene synthesis capabilities in one reactor.

Inventive Principle:
Principle #5Merging (Combining)

Solution Approach 2:

The bifunctional catalyst enables the reaction system to perform both dehydrogenation and 1,3-butadiene formation functions simultaneously, achieving high productivity (yield and selectivity) comparable to the two-step process while maintaining the operational simplicity of a one-step process configuration.

Inventive Principle:
Principle #6Universality (Multi-functionality)

3Manufacturing precision

If low ethanol feed concentration is used, then heavy hydrocarbon side-products are reduced increasing selectivity, but the process is not sufficient for commercial-scale application

Engineering Contradiction:
Improveselectivity to 1,3-butadieneVSAvoidcommercial-scale viability
Core Design Contradiction:
Manufacturing precisionVSProductivity

Solution Approach 1:

The bifunctional catalyst system enables effective operation across a wide range of ethanol feed concentrations. By optimizing the catalyst composition and reaction conditions, the process can achieve high selectivity at higher ethanol concentrations (e.g., 10-50 vol.% or more) that are suitable for commercial-scale applications, rather than being limited to low concentrations (4.5 vol.%).

Inventive Principle:
Principle #35Parameter changes

4Duration of action of stationary object

If catalyst regeneration is implemented, then catalyst longevity is improved, but the process complexity increases

Engineering Contradiction:
Improvecatalyst lifetimeVSAvoidregeneration system
Core Design Contradiction:
Duration of action of stationary objectVSDevice complexity

Solution Approach 1:

The catalyst system is designed to facilitate easy regeneration by removing deposed carbonaceous species through controlled oxidation treatments. The bifunctional nature of the catalyst allows it to withstand regeneration cycles without losing its dual functionality, extending catalyst lifetime while keeping the regeneration process relatively simple and integrated into the existing process flow.

Inventive Principle:
Principle #34Discarding and recovering

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 enhances the yield and selectivity of 1,3-butadiene production, facilitates catalyst regeneration, and allows for a more versatile and efficient process, even at lower ethanol feed concentrations, making it suitable for commercial-scale applications.

Implementation Method 1

a first stage contacting of a first stage feed comprising ethanol with a first stage catalyst, wherein the first stage catalyst comprises element MA1 and element MB1... to produce a first stage effluent comprising acetaldehyde and 1,3-butadiene

Methodology Applied
Scientific EffectCatalysis: Catalysis

Implementation Method 2

a second stage contacting of a second stage feed with a second stage catalyst, the second stage feed comprising at least part of the first stage effluent... to produce a second stage effluent comprising 1,3-butadiene

Methodology Applied
Scientific EffectCatalysis: Catalysis

Data Source

PatentUS20240368053A1Use of a catalyst system in the production of 1,3-butadiene from ethanol in two stages
Publication Date: 2024.11.07 SYNTHOS SA
  • US20240368053A1 patent drawing

AI summary

The invention relates to a process for the production of 1,3-butadiene from ethanol, the process comprising a first stage and a second stage. Furthermore, the invention relates to a catalyst system for use in the production of 1,3-butadiene from ethanol. Moreover, the invention relates to the use of the catalyst system for the production of 1,3-butadiene from a feed comprising ethanol, and a plant comprising the catalyst system.