Non-Coordinating Anion Activators with Long-Chain Alkoxy Groups
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Solution Overview
Problem
Existing olefin polymerization catalysts based on metallocenes require aromatic solvents for activation, leading to increased process complexity and cost due to the need for devolatilization steps and are insoluble in aliphatic hydrocarbons, making them difficult to handle and meter accurately.
Innovation Solution
Development of group 13 metallate activators with long chain alkoxy functionalization, allowing for catalyst systems that are soluble in aliphatic solvents, eliminating the need for aromatic solvents and improving handling and metering.
Engineering Contradictions & Design Principles
Engineering Contradiction Analysis
1Productivity
If ionic salt activators are used for olefin polymerization, then catalyst activity is improved, but solubility in aliphatic hydrocarbons deteriorates
Solution Approach 1:
The patent modifies the chemical structure of the ionic salt activator by introducing long chain alkoxy groups (C12-C30) to the cation. This parameter change in molecular structure transforms the activator from insoluble in aliphatic hydrocarbons to soluble, while preserving the ionic character necessary for high catalyst activity. The long hydrocarbon chains provide lipophilicity that enables dissolution in aliphatic solvents like hexanes and heptanes.
Solution Approach 2:
The activator represents a composite structure combining an ionic core (ammonium or phosphonium cation with non-coordinating anion) and long chain alkoxy functional groups. This composite design integrates the high activity characteristic of ionic salts with the solubility characteristic of long chain hydrocarbons, achieving both catalyst activity and solubility in aliphatic hydrocarbons simultaneously.
2Quantity of substance
If aromatic solvents are used to dissolve activators, then solubility is improved, but process complexity and cost increase due to devolatilization requirements
Solution Approach 1:
The patent changes the solvent parameter from aromatic (toluene, benzene) to aliphatic (hexanes, heptanes, methylcyclohexane). This parameter change eliminates the need for devolatilization steps because aliphatic solvents have lower boiling points and are easier to remove, or can be avoided entirely by using the monomer as solvent. The activator's solubility in aliphatic solvents enables this beneficial parameter change.
3Productivity
If ionic salt activators are used, then catalyst activity is improved, but ease of handling and metering deteriorates due to oily intractable material
Solution Approach 1:
The patent changes the physical state parameter of the activator from semi-solid oily material to soluble liquid or low-melting solid by incorporating long chain alkoxy groups. This parameter change improves handling characteristics, allowing the activator to be accurately metered and handled as a soluble material in aliphatic solvents, while maintaining the ionic structure necessary for high catalyst activity.
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 catalyst systems enable high activity polymerization of olefins in aliphatic solvents, reducing process complexity and costs by eliminating the need for aromatic solvent removal steps and enhancing catalyst handling.
Implementation Method 1
non-coordinating anion activators containing a cation with long chain alkoxy functionalization wherein the cation comprises a nitrogen or phosphorous heteroatom
Implementation Method 2
Because such activators are fully ionized and the corresponding anion is highly non-coordinating, such activators can be effective as olefin polymerization catalyst activators
Data Source
Figure 1~2
AI summary
Activators may comprise compounds represented by the Formula [Ar(EHR1R2)(OR3)]d+[Mk+Qn]d, wherein: Ar is an aryl group; E is nitrogen or phosphorous; R1 is a C1-C30, optionally substituted, linear alkyl group; R2 is a C1-C30, optionally substituted, linear alkyl group; R3 is a C10-C30, optionally substituted, linear alkyl group; M is an element selected from group 13 of the Periodic Table of the Elements; d is 1, 2 or 3; k is 1, 2, or 3; n is 1, 2, 3, 4, 5, or 6; n - k = d; and each Q is independently hydride, bridged or unbridged dialkylamido, halide, alkoxide, aryloxide, hydrocarbyl, substituted hydrocarbyl, halocarbyl, substituted halocarbyl, or halosubstituted-hydrocarbyl radical. Catalysts systems may comprise these activators and methods of preparing polyolefins may use these catalysts systems.