A5060161937- Carbon dioxide utilization in catalysis
- Polymer composites and self-healing
- Phosphorus and nutrient management
- Organometallic Complex Synthesis and Catalysis
- Electrochemical Analysis and Applications
- Analytical Chemistry and Sensors
- Radioactive element chemistry and processing
- Bauxite Residue and Utilization
- Chemical and Physical Properties in Aqueous Solutions
- Free Radicals and Antioxidants
- Synthesis and properties of polymers
- Inorganic Chemistry and Materials
- Extraction and Separation Processes
- Photopolymerization techniques and applications
- Chemical Reactions and Mechanisms
University of Miskolc
2021-2024
Vichem Chemie (Hungary)
2024
The alcoholysis of phenyl isocyanate (PhNCO) using stoichiometric butan-1-ol (BuOH) in acetonitrile the presence different cyclic amine catalysts was examined a combined kinetic and mechanistic approach. molecular mechanism urethane formation without studied G3MP2BHandHLYP composite method combination with SMD implicit solvent model. It found that energetics model reaction significantly decreased catalysts. computed measured thermodynamic properties were good agreement each other. results...
A kinetic and mechanistic investigation of the alcoholysis phenyl isocyanate (PhNCO) using stoichiometric butan-1-ol (BuOH) in acetonitrile presence different tertiary amine catalysts was performed.
Polyurethanes (PUs) are widely used in different applications, and thus various synthetic procedures including one or more catalysts applied to prepare them. For PU foams, the most important nitrogen-containing compounds. Therefore, this work, catalytic effect of eight on urethane formation will be examined. The reactions phenyl isocyanate (PhNCO) methanol without presence have been studied discussed using G3MP2BHandHLYP composite method. solvent effects also considered by applying SMD...
Carbodiimides are important crosslinkers in organic synthesis and used the isocyanate industry as modifier additives. Therefore, understanding of their formation is high importance. In this work, we present a theoretical B3LYP/6-31G(d) SMD solvent model experimental investigation diphenylcarbodiimide (CDI) from phenyl using phosphorus-based catalyst (MPPO) ortho-dichlorobenzene (ODCB) solvent. Kinetic experiments were based on volumetric quantitation CO2 evolved, at different temperatures...
Abstract The aluminum content of concentrated (27 wt%) sodium chloride solutions could be crucial for large‐scale chlor‐alkali‐based industries applying membrane cell electrolysis. Thus, a facile method which enables fast and reliable protocol to determine the Al these on ppb scale in industrial environments is fundamentally important. It was demonstrated that increased sensitivity colorful Al‐ECR (eriochrome cyanine R) complex by use cationic surfactant specific biological buffers...