Polyaromatic Feedstock Functionalization for Lower-Emission Polymerization
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Solution Overview
Problem
The complex molecular structure of polyaromatic hydrocarbon and polyheterocyclic molecules in petroleum streams makes it challenging to develop new chemistries for upgrading these materials into higher value products, such as infrastructure applications, composites, and 3-D printing materials, while conventional processes like hydroconversion or thermal coking are inefficient and environmentally costly.
Innovation Solution
A process involving functionalization and subsequent oligomerization or polymerization of polyaromatic feedstocks by introducing functional groups into polyaromatic hydrocarbon and polyheterocyclic molecules, followed by treating these molecules under conditions to form oligomers or polymers, which can be crosslinked, using reagents like halogens, epoxidation agents, or carbenes to create aryl-aryl, aryl-heteroaryl, and heteroaryl-heteroaryl bonds.
Engineering Contradictions & Design Principles
Engineering Contradiction Analysis
1Productivity
If conventional hydroconversion or thermal coking processes are used to process polyaromatic feedstock, then the materials can be processed, but the processes are inefficient and environmentally costly with high CO2 emissions
Solution Approach 1:
The patent changes the chemical parameters of the feedstock by introducing functional groups (epoxides, carbene, halogens) through controlled chemical reactions. This transforms the polyaromatic hydrocarbons into functionalized molecules that can undergo polymerization, fundamentally altering the processing pathway from conventional thermal/catalytic methods to chemical functionalization followed by polymerization, thereby improving efficiency and reducing harmful emissions
Solution Approach 2:
The patent uses functional groups as intermediary structures that facilitate the transformation process. These functional groups (introduced by reagents like epoxidation agents, carbenes, or halogens) act as mediators between the raw polyaromatic feedstock and the final polymer products, enabling controlled chemical reactions that conventional direct thermal processes cannot achieve efficiently
2Adaptability or versatility
If the complex molecular structure of polyaromatic hydrocarbon and polyheterocyclic molecules is utilized, then diverse feedstocks can be processed, but it becomes challenging to develop new chemistries for upgrading these materials
Solution Approach 1:
The patent establishes universal functionalization methods that can be applied across diverse polyaromatic feedstocks with different molecular structures. By using general reagents (epoxidation agents, carbenes, halogens) that can functionalize various polyaromatic hydrocarbons and polyheterocyclic molecules, the process achieves multi-functionality and broad substrate scope without requiring structure-specific complex chemistry for each feedstock type
Solution Approach 2:
The patent simplifies the complexity by focusing on changing key chemical parameters (introduction of functional groups) rather than addressing the entire complex molecular structure. This parameter-based approach allows diverse feedstocks to be processed through a unified chemical transformation strategy, reducing the perceived complexity while maintaining versatility
3Productivity
If functional groups are introduced into polyaromatic hydrocarbon and polyheterocyclic molecules, then oligomerization or polymerization can be effected, but the process requires multiple treatment steps
Solution Approach 1:
The patent merges the functionalization and polymerization steps into an integrated process sequence. The functional groups introduced in the first step serve as reactive sites that directly enable polymerization in the second step, combining what could be separate complex operations into a coordinated two-stage process that improves overall efficiency while maintaining clarity in the transformation pathway
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 process effectively transforms diverse polyaromatic feedstocks into high molecular weight oligomers and polymers, suitable for thermoplastic or thermoset materials, reducing CO2 emissions and meeting future material demands with enhanced product properties.
Implementation Method 1
The processes involve functionalizing polyaromatic hydrocarbon molecules and/or polyheterocyclic molecules present in petroleum or petrochemical streams... using reagents like halogens
Implementation Method 2
using reagents like halogens, epoxidation agents, or carbenes to create aryl-aryl, aryl-heteroaryl, and heteroaryl-heteroaryl bonds
Implementation Method 3
using reagents like halogens, epoxidation agents, or carbenes to create aryl-aryl, aryl-heteroaryl, and heteroaryl-heteroaryl bonds
Implementation Method 4
treating these molecules under conditions to form oligomers or polymers... which can be crosslinked
Implementation Method 5
subsequently oligomerizing or polymerizing the so-formed functionalized molecules
Implementation Method 6
which can be crosslinked... to form high molecular weight oligomers and polymers, suitable for thermoplastic or thermoset materials
Data Source
AI summary
Processes for chemically treating polyaromatic feedstock to form aromatic-containing oligomers or polymers are provided. The processes are characterized by treatment of a plurality of different polyaromatic hydrocarbon molecules and/or polyheterocyclic molecules present in polyaromatic feedstock with a first reagent so as to functionalize the molecules. Further treatment in a second step affords oligomeric or polymeric products which may be crosslinked. The products may be thermoplastic or thermoset materials and may find use in, for example, infrastructure applications, composites, fillers, fire retardants and 3-D printing materials.