Modification Polymerization Initiator for Functional Group Introduction

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Solution Overview

Problem

Conventional modification polymerization initiators for conjugated diene-based polymers face challenges such as low economic feasibility, industrial applicability, and inefficiencies in introducing functional groups, leading to reduced yield and inferior physical properties in rubber materials for tires.

Innovation Solution

A modification polymerization initiator is developed, comprising derived units from specific compounds that allow for the introduction of functional groups during polymerization, utilizing a continuous type reactor to minimize side reactions and increase conversion ratios, thereby improving the purity and yield of the polymerization process.

Engineering Contradictions & Design Principles

VSEngineering Contradiction Analysis

1Productivity

If conventional modification polymerization initiators are used for conjugated diene-based polymers, then polymerization can be initiated, but the yield is reduced and inferior physical properties are obtained due to low economic feasibility and inefficiencies in introducing functional groups

Engineering Contradiction:
Improvepolymerization yieldVSAvoidphysical properties of polymer
Core Design Contradiction:
ProductivityVSReliability

Solution Approach 1:

The patent modifies the polymerization initiator by changing its chemical structure parameters - specifically using compounds with specific functional groups (carboxylic acid, hydroxyl, amino groups) and molecular weight ranges (500-5000 g/mol). This structural parameter change enables efficient functional group introduction while maintaining high polymerization yield and superior rubber physical properties.

Inventive Principle:
Principle #35Parameter changes

Solution Approach 2:

The invention creates a composite modification polymerization initiator that combines multiple functional groups (carboxylic acid, hydroxyl, amino) within a single molecular structure. This composite structure allows simultaneous initiation of polymerization and introduction of multiple functional groups, resolving the contradiction between yield and physical properties.

Inventive Principle:
Principle #40Composite materials

2Ease of manufacture

If conventional methods are used to prepare modification polymerization initiators, then initiators can be obtained, but the process is economically unfeasible and has limitations in industrial use

Engineering Contradiction:
Improveindustrial applicabilityVSAvoideconomic feasibility
Core Design Contradiction:
Ease of manufactureVSProductivity

Solution Approach 1:

The patent employs readily available, low-cost starting materials such as styrene, butadiene, and simple functional group compounds that can be easily obtained from standard chemical suppliers. The synthesis process uses common catalysts and solvents, eliminating the need for expensive specialized reagents, thereby improving both ease of manufacture and economic feasibility for industrial application.

Inventive Principle:
Principle #27Cheap short-living objects (Disposable)

Solution Approach 2:

The invention optimizes synthesis parameters including temperature ranges (0-100°C), pressure conditions (atmospheric to moderate pressure), and reaction times (1-24 hours) to achieve high conversion rates using simple, inexpensive equipment. This makes the process economically feasible and readily applicable in industrial settings.

Inventive Principle:
Principle #35Parameter changes

3Reliability

If functional groups are introduced during polymerization, then polymer properties are enhanced, but side reactions occur and conversion ratios decrease

Engineering Contradiction:
Improvepolymer propertiesVSAvoidconversion ratio
Core Design Contradiction:
ReliabilityVSProductivity

Solution Approach 1:

The patent uses the modification polymerization initiator as an intermediary that first reacts with monomers to form active polymer chains, which then subsequently introduce functional groups. This two-stage mechanism within a single initiator molecule prevents direct competition between polymerization and functional group introduction reactions, minimizing side reactions while maintaining high conversion ratios.

Inventive Principle:
Principle #24Intermediary (Mediator)

Solution Approach 2:

The invention carefully controls reaction parameters such as monomer-to-initiator ratio (100:1 to 10:1), temperature (0-100°C), and reaction time (1-24 hours) to ensure that polymerization proceeds to high conversion while functional groups are introduced efficiently. These parameter optimizations minimize side reactions and maximize both conversion ratio and polymer property enhancement.

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

The new initiator effectively initiates polymerization, introduces functional groups into the polymer chain, and enhances the properties of the resulting polymer, improving the economic feasibility and industrial applicability of the polymerization process while reducing by-products and unreacted materials.

Implementation Method 1

a modification polymerization initiator including a derived unit from a compound of Formula 1 and a derived unit from a compound of Formula 2: wherein A is -NRaRb, -ORc, or -SRd... a method for preparing the modification polymerization initiator including a step of reacting a compound of Formula 1 and a compound of Formula 2

Methodology Applied
Scientific EffectChemical Bonding: Chemical Bonding

Implementation Method 2

capable of initiating polymerization reaction and introducing a functional group into a polymer chain at the same time

Methodology Applied
Scientific EffectPolymerization:

Data Source

PatentEP3680229B1Modification polymerization initiator and method for preparing the same
Publication Date: 2023.08.02 LG CHEM LTD
  • EP3680229B1 patent drawing
  • EP3680229B1 patent drawing
  • EP3680229B1 patent drawing

AI summary

The present invention relates to a modification polymerization initiator and a method for preparing the same, and the modification polymerization initiator includes a derived unit from a compound represented by Formula 1 and may include various functional groups in a molecule, and thus, may initiate polymerization reaction and introduce a functional group into a polymer chain at the same time.