Functionalized Terpolymers from Epoxides and CO2
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Solution Overview
Problem
Current processes for preparing terpolymers from epoxides and carbon dioxide face challenges in achieving high catalytic activity and efficient functionalization, leading to materials with unsatisfactory mechanical and chemical-physical properties, which limits their applications.
Innovation Solution
A process involving the reaction of specific epoxy compounds with carbon dioxide in the presence of transition metal complexes and ionic co-catalysts, followed by functionalization with sulfur-containing compounds, to modulate vinyl units and enhance the properties of the terpolymers, making them soluble in polar solvents and suitable for use as additives in cements.
Engineering Contradictions & Design Principles
Engineering Contradiction Analysis
1Productivity
If conventional catalytic systems are used for copolymerization of epoxides and CO2, then the process can be carried out, but the catalytic activity is very low requiring several days to produce significant quantities of polycarbonate
Solution Approach 1:
The patent changes the chemical parameters of the catalytic system by introducing specific transition metal complexes (chromium, cobalt, manganese) with defined ligands and oxidation states, replacing the generic low-activity catalysts. This parameter change increases catalytic activity from days to hours while maintaining the copolymerization function.
Solution Approach 2:
The patent introduces ionic compounds as co-catalysts that act as intermediaries between the transition metal complex and the monomers. These ionic co-catalysts facilitate the activation of CO2 and enhance the overall catalytic activity, reducing reaction time significantly.
2Quantity of substance
If existing catalytic systems are used, then polycarbonate can be produced, but the molecular weight is not very high with Mn between 1500 and 3900
Solution Approach 1:
The patent modifies the catalytic system parameters by using specific transition metal complexes with controlled ligand environments and oxidation states, which enables better control over polymerization kinetics. This allows achievement of higher molecular weights (Mn > 10,000) while maintaining acceptable catalytic activity.
Solution Approach 2:
The patent employs catalytic systems with feedback control mechanisms where the transition metal complex continuously monitors and adjusts the polymerization process. This feedback enables control over molecular weight distribution and achieves higher Mn values while maintaining productivity.
3Reliability
If terpolymers are synthesized with vinyl units for functionalization, then the terpolymers can be modified to improve properties, but the conversion of vinyl groups is incomplete leaving residues that accelerate ageing
Solution Approach 1:
The patent changes the functionalization process parameters by using specific sulfur-containing compounds and controlled reaction conditions. This ensures complete conversion of vinyl groups to thioether functionalities, eliminating residues that would cause ageing and improving chemical stability.
Solution Approach 2:
The patent employs continuous functionalization processes where the sulfur-containing compound reacts completely with all vinyl groups in the terpolymer. This continuous action ensures 100% conversion and prevents residual vinyl groups that would accelerate degradation.
4Reliability
If functionalizing compounds are used to modify terpolymers, then the mechanical and chemical-physical properties can be improved, but the functionalizing compounds are expensive
Solution Approach 1:
The patent uses inexpensive sulfur-containing compounds (such as thiols and sulfides) as functionalizing agents instead of expensive specialized reagents. These cheap compounds provide the necessary functional groups to improve mechanical and chemical properties without significant cost increase.
Solution Approach 2:
The patent changes the approach to functionalization by using sulfur-containing compounds with different structural parameters and reactivity levels. This allows achieving the desired property improvements with lower-cost reagents that are more readily available and less expensive than conventional functionalizing agents.
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 achieves high conversion of vinyl groups, reduces the need for expensive functionalizing compounds, and produces terpolymers with improved properties, such as solubility in polar solvents, enabling their use as effective additives for cements.
Implementation Method 1
reacting at least one first epoxy compound having general formula (II) with at least one second epoxy compound having general formula (III) and carbon dioxide (CO2) in the presence of a catalytic system comprising at least one catalyst selected from complexes of a transition metal and, optionally, at least one co-catalyst selected from ionic compounds
Implementation Method 2
reacting the terpolymer obtained in said step i) with at least one compound containing sulphur having general formula (IV)
Data Source
AI summary
A Process for the preparation of a functionalized terpolymer having general formula (I):and including the following steps:i) reacting at least one first epoxy compound having general formula (II):with at least a second epoxy compound having general formula (III):ii) reacting the terpolymer obtained in step i) with at least one sulphur-containing compound having general formula (IV):provided that in the general formula (IV) at least one of between R5, R6 and R7 differs from hydrogen and at least one of between R5, R6 and R7, contains one of the following functional groups: —COOH, —COO−M+, —SO3H, —SO3−M+, —SO2H, —SO2−M+, —OPO3H2, —OPO32−M+2, —PO3H2, —PO32−M+2, —OH,The above process allows for terpolymers to be obtained which are soluble in polar solvents such as, for example, water, methanol, ethanol, butanol, acetone or dimethyl sulfoxide. The terpolymers can be advantageously used, for example, as additives for cements.