Aryl-Functional Silane Production via Silicon Alloy Catalyst

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Solution Overview

Problem

The production of halosilanes using the Mueller-Rochow Direct Process is energy-intensive due to the need for high-temperature carbothermic reduction of SiO2 to produce zero-valent silicon, making the process costly.

Innovation Solution

A method involving the formation of a silicon alloy catalyst by contacting a halosilane and a metal combination, such as Cu, Ni, and Pd, under silicon deposition conditions, followed by reaction with an aryl halide under silicon etching conditions to produce aryl-functional silanes, eliminating the need for zero-valent silicon as a starting material.

Engineering Contradictions & Design Principles

VSEngineering Contradiction Analysis

1Ease of manufacture

If the Mueller-Rochow Direct Process is used to produce halosilanes, then halosilanes can be produced commercially, but the process is energy-intensive and costly due to high-temperature carbothermic reduction of SiO2

Engineering Contradiction:
Improvemanufacturability of halosilanesVSAvoidenergy consumption
Core Design Contradiction:
Ease of manufactureVSUse of energy by moving object

Solution Approach 1:

The invention extracts and eliminates the energy-intensive carbothermic reduction step (SiO2 + 2C → Si + 2CO at 2000°C) from the process by using pre-prepared zero-valent silicon as a starting material. This removes the harmful high-energy step while preserving the core halosilane production functionality.

Inventive Principle:
Principle #2Taking out (Extraction)

Solution Approach 2:

The invention performs the silicon production step (carbothermic reduction) in advance to create zero-valent silicon, which is then stored and used as a starting material in the halosilane production process. This separates the high-energy step from the product synthesis, allowing the halosilane production itself to proceed at lower temperatures without the energy penalty.

Inventive Principle:
Principle #10Preliminary action

2Ease of manufacture

If zero-valent silicon is used as a starting material in the Mueller-Rochow process, then halosilanes can be produced, but the production costs increase due to the energy-intensive preparation of zero-valent silicon

Engineering Contradiction:
Improveproduction of halosilanesVSAvoidproduction cost
Core Design Contradiction:
Ease of manufactureVSLoss of energy

Solution Approach 1:

The invention extracts the costly zero-valent silicon preparation step from the halosilane production process. By using pre-prepared zero-valent silicon as a commodity material, the invention eliminates the need to perform the expensive 2000°C carbothermic reduction within the halosilane production facility, thereby reducing both energy consumption and production costs.

Inventive Principle:
Principle #2Taking out (Extraction)

3Quantity of substance

If high-temperature carbothermic reduction is used to produce zero-valent silicon, then zero-valent silicon can be obtained, but the process becomes energy-intensive and costly

Engineering Contradiction:
Improveproduction of zero-valent siliconVSAvoidenergy consumption
Core Design Contradiction:
Quantity of substanceVSUse of energy by moving object

Solution Approach 1:

The invention performs the zero-valent silicon production as a preliminary step that is separated from the halosilane synthesis. The high-temperature carbothermic reduction (SiO2 + 2C → Si + 2CO) is conducted in advance to produce zero-valent silicon, which is then used as a starting material in subsequent low-temperature halosilane production, thereby confining the energy-intensive step to a one-time material preparation rather than a continuous process requirement.

Inventive Principle:
Principle #10Preliminary action

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 method reduces energy consumption and production costs while maintaining the ability to produce aryl-functional silanes, which are useful in high-temperature applications and optoelectronics, with fewer impurities and without the need for organic solvents.

Implementation Method 1

contacting a halosilane and a metal combination, such as Cu, Ni, and Pd, under silicon deposition conditions

Methodology Applied
Scientific EffectSilicon deposition: Deposition (physical)

Implementation Method 2

reaction with an aryl halide under silicon etching conditions to produce aryl-functional silanes

Methodology Applied
Scientific EffectSilicon etching: Ablation

Implementation Method 3

The catalysts of formula (I) are useful for the preparation of aryl-functional silanes

Methodology Applied
Scientific EffectCatalysis: Catalysis

Data Source

PatentEP3233731B1Method for producing aryl-functional silanes
Publication Date: 2020.08.05 DOW SILICONES CORP

AI summary

A method for preparing a reaction product including an aryl-functional silane includes sequential steps (1 ) and (2). Step (1 ) is contacting, under silicon deposition conditions, (A) an ingredient including (I) a halosilane such as silicon tetrahalide and optionally (II) hydrogen (H2); and (B) a metal combination comprising copper (Cu) and at least one other metal, where the at least one other metal is selected from the group consisting of gold (Au), cobalt (Co), chromium (Cr), iron (Fe), magnesium (Mg), manganese (Mn), nickel (Ni), palladium (Pd), and silver (Ag); thereby forming a silicon alloy catalyst comprising Si, Cu and the at least one other metal. Step (2) is contacting the silicon alloy catalyst and (C) a reactant including an aryl halide under silicon etching conditions.