Bis-borate Co-catalyst Solubility in Apolar Olefin Polymerization
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Solution Overview
Problem
Molecular catalyst systems combining borate co-catalysts and Ziegler-Natta procatalysts face challenges with solubility in apolar solvents, leading to decreased catalyst activity and polymer yield due to interactions with halogenated solvents, and insolubility issues with procatalysts or co-catalysts.
Innovation Solution
Development of a catalyst system incorporating a non-coordinating borate dianion co-catalyst with specific cations, allowing for solubility in non-halogenated hydrocarbon solvents like toluene and methylcyclohexane, enhancing solubility and maintaining catalyst efficiency.
Engineering Contradictions & Design Principles
Engineering Contradiction Analysis
1Quantity of substance
If halogenated solvents (difluorobenzene, dichlorobenzene, dichloromethane, chloroform) are used to dissolve catalyst components, then solubility of catalyst system is improved, but catalyst activity greatly decreases due to adverse interactions
Solution Approach 1:
The patent introduces a specific co-catalyst composition as an intermediary that mediates between the procatalyst and solvent environment. The co-catalyst comprising a non-coordinating borate dianion with two specific cations (one being a hydrocarbon-soluble cation) acts as a bridge that enables solubility in apolar hydrocarbon solvents without requiring halogenated solvents, thus maintaining catalyst activity while achieving necessary solubility.
Solution Approach 2:
The patent changes the chemical parameters of the co-catalyst by selecting specific cations with appropriate hydrocarbon solubility characteristics. By modifying the cation structure (using cations with hydrocarbon chains or aromatic groups), the overall solubility parameter of the co-catalyst is adjusted to match apolar hydrocarbon solvents, eliminating the need for halogenated solvents and preserving catalyst activity.
2Device complexity
If procatalyst or co-catalyst is used with insufficient solubility in the solvent, then catalyst system simplicity is maintained, but catalyst activity is greatly decreased
Solution Approach 1:
The patent applies local quality by making only the co-catalyst component soluble in the apolar hydrocarbon solvent through careful selection of its cations, while keeping the procatalyst structure relatively simple. The solubility function is localized to the co-catalyst molecule, which is designed with hydrocarbon-soluble cations that provide the necessary solubility without requiring complex modifications to the entire catalyst system.
3Quantity of substance
If a large amount of solvent is used to dissolve catalyst components, then solubility is improved, but polymer yield and physical properties are adversely affected
Solution Approach 1:
The patent changes the solvent parameter from halogenated to apolar hydrocarbon, and changes the co-catalyst composition parameter to include hydrocarbon-soluble cations. This dual parameter change enables the catalyst system to achieve adequate solubility in apolar hydrocarbon solvents with smaller solvent volumes, avoiding the adverse effects of large solvent amounts on polymer yield and physical properties while maintaining necessary solubility.
Data Source
AI summary
Embodiments are directed to catalyst systems comprising: a procatalyst; and a co-catalyst dissolved in a non-halogenated aprotic hydrocarbon solvent, the co-catalyst comprising: a non-coordinating borate dianion having the formula: (III) and two cations, each cation being independently chosen from a cation according to formula (I) or formula (II).