A5031118898- Catalytic Processes in Materials Science
- Catalysis and Oxidation Reactions
- Catalysis and Hydrodesulfurization Studies
- Geophysics and Gravity Measurements
- Zeolite Catalysis and Synthesis
- Atmospheric chemistry and aerosols
- Gas Sensing Nanomaterials and Sensors
- Atmospheric Ozone and Climate
- Electrocatalysts for Energy Conversion
- Catalysis for Biomass Conversion
- Chemical Reaction Mechanisms
- Pesticide Residue Analysis and Safety
- Carbon dioxide utilization in catalysis
- Analytical Chemistry and Chromatography
- Chemical Thermodynamics and Molecular Structure
- Advanced Photocatalysis Techniques
- Advanced Chemical Physics Studies
- Chemical Synthesis and Characterization
- Metal-Organic Frameworks: Synthesis and Applications
- Water Quality Monitoring and Analysis
- Glass properties and applications
- Spectroscopy and Laser Applications
University of Warsaw
2024
Cracow University of Technology
2020-2024
The purpose of this study is to prepare Zr-metallosilicates with MFI-type framework via direct hydrothermal approach, by varying Si and Zr precursors. First, a set routine characterization techniques was applied confirm the presence targeted structure as well their intrinsic properties. Results suggest formation materials large specific surface areas (up 421 m2 g−1). Then, combination advanced spectroscopic (XPS, ToF-SIMS, EPR), high-resolution microscopy, periodic Density Functional Theory...
The objective of our study was to prepare Y-, USY- and ZSM-5-based catalysts by hydrothermal synthesis, followed copper active-phase deposition either conventional ion-exchange or ultrasonic irradiation. resulting materials were characterized XRD, BET, SEM, TEM, Raman, UV-Vis, monitoring ammonia nitrogen oxide sorption FT-IR Diffuse Reflectance Infrared Fourier Transform Spectroscopy (DRIFTS). XRD data confirmed the purity structure Y/USY ZSM-5 zeolites. results indicated that highly porous...
In this paper, a detailed mechanism is discussed for two processes: deNOx and deN2O. An FAU catalyst was used the reaction with Cu-Fe bimetallic adsorbates represented by dimer bridged oxygen. Partial hydration of metal centres in considered. Ab initio calculations based on density functional theory were used. The electron parameters structures obtained also analysed. Visualisation orbitals selected their interpretations are presented. presented research allowed closer look at mechanisms...
This paper presents a review of modern modelling porous materials such as metal-organic frameworks used in catalysis. The authors’ own research approach using the nano-design is included this review.
In the present study we propose a more promising catalyst for deNOx process to eliminate harmful nitrogen oxides from environment. The was performed with computer calculation using density functional theory (DFT) based on an ab initio method. Two zeolite catalysts, FAU and MFI, were selected additional Cu-O-Zn bimetallic dimer adsorbed inside pores of both zeolites. Based analysis preliminary studies, most probable way co-adsorption nitric oxide ammonia selected, which became initial...
Transition-metal-modified zeolites have recently gained the greatest interest among scientists. Ab initio calculations within density functional theory were used. The exchange and correlation was approximated with Perdew–Burke–Ernzerhof (PBE) functional. Cluster models of ZSM-5 (Al2Si18O53H26) used Fe particles adsorbed above aluminum. adsorption three iron adsorbates inside pores zeolite—Fe, FeO FeOH—was carried out different arrangements aluminum atoms in zeolite structure. DOS diagram...
This paper presents two mechanisms for the deNOx process and deN2O (in variants). The processes were carried out on a clinoptilolite zeolite catalyst with deposited Cu–Cu monometallic dimer Cu–Zn bimetallic bridged oxygen between metal atoms. Analyses performed hydrated forms of bridging one Calculations using DFT (density functional theory) based an ab initio method. analyses included calculations energies individual reaction steps analysis charges, bond orders lengths as well HOMO, SOMO...
Ab initio calculations based on the density functional theory were used. A cluster model of faujasite zeolite structure (Al2Si22O66H36) with metal particles adsorbed above aluminium centres was The NO and NH3 adsorption processes, individual co-adsorption, have been studied over nanoparticles bound into clusters. Several configurations, electronic (charges, bond orders) vibration frequencies analyzed to determine feasible pathways for deNOx reaction. M2O dimers (M = Cu, Mn or Fe) considered...
Synthesis of investigated compound protocolThe commercially available (1S)-(-)-verbenone (CAS Registry No. 1196-01-6, ≥ 94%, Sigma-Aldrich) was used as starting material.The protocol for the synthesis norpinonic acid covered one step -the oxidative cleavage double C=C bond using RuCl3×H2O 14898-67-0, Sigma-Aldrich, ≥99.98%).Other chemicals in cis-norpinonic were follows: sodium periodate 7790-28-5, 99.8%), carbon tetrachloride 56-23-5, 99.5%), acetonitrile 75-05-8, POCH, 99.9%), hexane...
Abstract. Norpinonic acid has been known as an important α-pinene athmospheric SOA (Secondary Organic Aerosol) component. It is formed in the reaction of α-pinene, β-pinene or verbenone with atmospheric oxidizing reagents, such ozone (O3) and hydroxy radicals. In presented studies, tandem mass spectrometry techniques were used to determine exact norpinonic fragmentation pathway gas phase. The precursor anion – deprotonated (m/z 169) generated electrospray (ESI) source subjected into...
Abstract. Norpinonic acid has been known as an important α-pinene atmospheric secondary organic aerosol (SOA) component. It is formed in the reaction of α-pinene, β-pinene or verbenone with oxidizing reagents. In presented study, tandem mass spectrometry techniques were used to determine exact norpinonic fragmentation pathway gas phase. The precursor anion – deprotonated (m/z 169), generated electrospray (ESI) source was introduced into collision cell spectrometer and fragmented using...
This paper presents two mechanisms for the deNOx process and deN2O (in variants). The processes were carried out on a clinoptilolite zeolite catalyst with deposited Cu-Cu monometallic dimer Cu-Zn bimetallic bridged oxygen between metal atoms. Analyses performed hydrated forms of bridging or one Calculations done using DFT (Density Functional Theory) based an ab initio method. analyses included calculations energies individual reaction steps, analysis charges, bond orders lengths, as well...
The valorization of waste from biomass currently arouses great interest. In the present study we concentrate on design innovative BEA zeolite catalysts with applied metal nanoparticles - copper, vanadium and manganese for dehydration lactic acid to acrylic acid. Th e ab initio method based density functional theory (DFT) was used calculate electron structure analyzed molecules. non-local generalized gradient corrected functionals GGA-RPBE in order account exchange correlation. cluster model...