Silated Cyclic Core Polysulfides for Elastomer Coupling
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Solution Overview
Problem
Conventional silane coupling agents for mineral-filled elastomers have limitations due to their low reactivity and weak links between the polymer and silica, leading to reduced effectiveness and wear in rubber applications.
Innovation Solution
The development of silated cyclic core polysulfides with a novel molecular architecture featuring multiple polysulfide chains in a noncollinear configuration, where silyl groups are centrally bonded to a cyclic core through carbon-carbon, carbon-sulfur, and carbon-silicon bonds, enhancing stability and reactivity, and allowing multiple points of sulfur attachment to the polymer.
Engineering Contradictions & Design Principles
Engineering Contradiction Analysis
1Device complexity
If polysulfide groups are attached directly to aromatic core, then coupling agent structure is simplified, but reactivity with polymer is reduced due to steric bulk
Solution Approach 1:
The patent changes the core structure from aromatic to cyclic aliphatic (cyclohexane), fundamentally altering the steric and electronic parameters of the molecule. This parameter change reduces steric bulk while maintaining structural simplicity, thereby improving reactivity with polymer without significantly increasing molecular complexity.
Solution Approach 2:
The invention creates a composite molecular structure combining cyclic aliphatic core with multiple polysulfide chains and silyl groups. This composite architecture allows the molecule to simultaneously achieve simplicity, high reactivity, and multiple bonding capabilities, resolving the contradiction between structural simplicity and reactivity.
2Stability of the object's composition
If polysulfide groups are attached to secondary carbon of cyclic core, then molecular symmetry is improved, but reactivity is reduced due to steric hindrance
Solution Approach 1:
The patent segments the molecular structure by attaching polysulfide groups to primary carbons rather than using a symmetric secondary carbon attachment. This segmentation allows each polysulfide chain to have optimal reactivity while the overall molecule maintains functional symmetry through the cyclic core, resolving the contradiction between symmetry and reactivity.
Solution Approach 2:
The invention applies local quality by creating different environments at different parts of the molecule - the cyclic core provides structural stability while the terminal polysulfide groups provide high reactivity. This local differentiation allows the molecule to simultaneously achieve symmetry and high reactivity.
3Device complexity
If multiple polysulfide chains are arranged in collinear configuration, then molecular simplicity is maintained, but effectiveness is reduced due to steric hindrance
Solution Approach 1:
The patent transitions from a collinear (one-dimensional) arrangement to a three-dimensional radial arrangement of polysulfide chains around the cyclic core. This dimensional change eliminates steric hindrance between chains while maintaining molecular simplicity, thereby improving coupling effectiveness without significantly increasing architectural complexity.
4Device complexity
If single C-S and S-S linkages are used between silane and polymer, then coupling mechanism is simplified, but wear resistance is reduced due to weak linkages
Solution Approach 1:
The invention creates a composite bonding structure where multiple C-S and S-S linkages work together in a network rather than as isolated single bonds. This composite bonding approach maintains the simplicity of the coupling mechanism while dramatically improving wear resistance through the cumulative strength of multiple linkages.
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 improves the physical properties and wear characteristics of mineral-filled elastomers, including reduced rolling resistance in tire applications, by providing a more stable and reactive linkage between the polymer and silica filler.
Implementation Method 1
Coupling is accomplished by chemical bond formation between the silane sulfur and the polymer and by hydrolysis of the alkoxysilyl groups and subsequent condensation with silica hydroxyl groups
Implementation Method 2
Coupling is accomplished by chemical bond formation between the silane sulfur and the polymer and by hydrolysis of the alkoxysilyl groups and subsequent condensation with silica hydroxyl groups
Implementation Method 3
The reaction of the silane sulfur with the polymer occurs when the S-S bonds are broken and the resulting fragment adds to the polymer
Data Source
Figure 1
AI summary
This invention relates to novel sulfur-containing silane coupling agents, and organic polymers containing carbon-carbon double bonds. These novel silanes can be carried on organic and inorganic fillers. The invention also relates to articles of manufacture, particularly tires, made from the elastomer compositions described herein.