Iron Catalyst Promoter Control for Dinitrile Hydrogenation Selectivity

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Solution Overview

Problem

Current hydrogenation processes for dinitriles to produce diamines or aminonitriles face challenges in controlling selectivity and reducing impurity formation, particularly with the production of HMI and BHMT, and in optimizing the selectivity to AMCPA, due to limitations in catalyst composition and promoter usage.

Innovation Solution

A process involving a heterogeneous iron catalyst with at least 90 wt.% iron and promoters like alkali metals and alkaline earth metals, where the promoter concentration is carefully controlled to reduce HMI and BHMT formation and increase selectivity to AMCPA, with specific molar ratios and ppmw levels of calcium, sodium, and magnesium, and potentially varying these concentrations across a reactor bed or in series of reactors.

Engineering Contradictions & Design Principles

VSEngineering Contradiction Analysis

1Manufacturing precision

If conventional iron catalysts with traditional promoters are used for dinitrile hydrogenation, then the hydrogenation reaction can proceed, but selectivity to desired products is poor and impurities like HMI and BHMT are formed in high amounts

Engineering Contradiction:
Improveselectivity to desired productsVSAvoidimpurity formation (HMI and BHMT)
Core Design Contradiction:
Manufacturing precisionVSObject-generated harmful factors

Solution Approach 1:

The patent applies parameter changes by precisely controlling the concentration of alkali metal and alkaline earth metal promoters within 0.1-5.0 wt% ranges, and optimizing their molar ratios (such as Ca/Na, Ca/K, Ca/Mg ratios). This quantitative optimization of promoter parameters transforms the catalyst's selectivity, reducing impurity formation while maintaining hydrogenation activity.

Inventive Principle:
Principle #35Parameter changes

Solution Approach 2:

The patent creates a composite catalyst system combining iron (94-99.9 wt%) with multiple promoter elements (alkali metals like Na, K and alkaline earth metals like Ca, Mg) in specific combinations and ratios. This composite structure synergistically enhances selectivity to desired products (HMD, MPMD, ACN) while suppressing harmful byproducts through the cooperative effect of different promoter elements.

Inventive Principle:
Principle #40Composite materials

2Manufacturing precision

If promoter concentration is increased to improve selectivity, then product selectivity may improve, but catalyst complexity and optimization difficulty increase

Engineering Contradiction:
Improveselectivity controlVSAvoidcatalyst composition complexity
Core Design Contradiction:
Manufacturing precisionVSDevice complexity

Solution Approach 1:

The patent establishes specific parameter ranges for promoter concentrations (0.1-5.0 wt%) and molar ratios (e.g., Ca/Na ≥ 1, Ca/K ≥ 1, Ca/Mg ≥ 1) to optimize selectivity. By defining these quantitative parameters, the patent simplifies the complexity of catalyst formulation while achieving precise selectivity control for reducing HMI and BHMT impurities.

Inventive Principle:
Principle #35Parameter changes

3Object-generated harmful factors

If specific promoter ratios are used to reduce HMI and BHMT formation, then impurity levels decrease, but the process requires precise control of multiple promoter concentrations

Engineering Contradiction:
ImproveHMI and BHMT formationVSAvoidpromoter concentration control
Core Design Contradiction:
Object-generated harmful factorsVSEase of operation

Solution Approach 1:

The patent specifies concrete parameter ranges including promoter concentrations (0.1-5.0 wt%) and minimum molar ratios (Ca/Na ≥ 1, Ca/K ≥ 1, Ca/Mg ≥ 1) to effectively suppress HMI and BHMT formation. These defined parameters provide clear operational guidelines for catalyst preparation, making the control process more manageable despite involving multiple elements.

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 significantly reduces the formation of undesired side products like HMI and BHMT while maintaining or increasing the yield of desired products like HMD and MPMD, with a synergistic effect observed when calcium, magnesium, and sodium promoters are used in specific ratios, improving the overall efficiency and purity of the hydrogenation process.

Implementation Method 1

contacting the dinitrile with hydrogen in the presence of an heterogeneous iron catalyst... in the presence of promoter comprising at least one selected from alkali metal and alkaline earth metal promoters

Methodology Applied
Scientific EffectCatalysis: Catalysis

Data Source

PatentEP3416940B1Promoter for selective nitrile hydrogenation
Publication Date: 2019.10.30 INVISTA TEXTILES (U K) LTD

AI summary

Disclosed is a process for hydrogenating a dinitrile comprising contacting the dinitrile with hydrogen over catalyst comprising at least 90 wt.% iron in the presence of promoter comprising at least one selected from alkali metal and alkaline earth metal promoters.