Search results for " catalysts"
showing 9 items of 99 documents
The role of polaronic states in the enhancement of CO oxidation by single-atom Pt/CeO2
2023
Single Atom Catalysts (SACs) have shown that the miniaturization of the active site implies new phenomena like dynamic charge transfer between isolated metal atoms and the oxide. To obtain direct proof of this character is challenging, as many experimental techniques provide averaged properties or have limitations with poorly conductive materials, leaving kinetic measurements from catalytic testing as the only reliable reference. Here we present an integrated Density Functional Theory-Microkinetic model including ground and metastable states to address the reactivity of Pt1/CeO2 for CO oxidation. Our results agree with experimentally available kinetic data in the literature and show that CO…
Polimeryzacja koordynacyjna alkenylosilseskwioksanów i ich kopolimeryzacja z olefinami lub styrenem
2015
Artykuł stanowi kontynuację przeglądu literatury dotyczącej koordynacyjnej polimeryzacji silseskwioksanów (POSS), zawierających zdolne do polimeryzacji wiązanie podwójne, oraz ich kopolimeryzacji głównie zolefinami, a także ze styrenem. Zastosowanie katalizatorów metalocenowych aktywowanych metyloaluminoksanem (MAO) zapewnia efektywną (ko)polimeryzację silseskwioksanów zarówno z olefinami, jak i styrenem. Wprowadzenie do materiału polimerowego komonomeru POSS korzystnie wpływa na właściwości otrzymanych produktów, które cechują się większą odpornością termiczną oraz wytrzymałością mechaniczną niż ich odpowiedniki niezawierające POSS.
Effect of catalyst composition on chain‐end‐group of polyethylene produced by salen‐type complexes of titanium, zirconium, and vanadium
2010
The chain end structures of polyethylenes produced by salen complexes of titanium, zirconium, and vanadium, activated by MAO or common alkylaluminium compounds were investigated by 1H NMR and FTIR spectroscopy. The polymerization process with the use of vanadium complexes was found to produce polymers with only vinyl end groups in practice. In the processes catalyzed by titanium and zirconium complexes activated by MAO or Et2AlCl, not only β‐hydrogen elimination and/or chain transfer to the monomer occurs but also the chain termination reaction takes place in which an organoaluminium cocatalyst is involved. That reaction proceed particularly easily in the systems: titanium complex/Et2AlCl.
Effect of hydrogen on the ethylene polymerization process over Ziegler–Natta catalysts supported on MgCl2(THF)2. II. Kinetic studies
2001
This article reports on a study of the effects of hydrogen on the activity of vanadium and titanium catalysts supported on MgCl2(THF)2 in ethylene polymerization. It was found that hydrogen did not change the stable nature of the active sites and the polydispersity index of the polyethylene obtained. The propagation rate, expressed as kp, was found to be independent of the presence and concentration of hydrogen, indicating that this reacting agent does not modify the reactivity of the active sites. However, the presence of hydrogen in the polymerization medium is responsible for partial deactivation of the active sites just before polymerization is initiated.
Weryfikacja kinetycznego modelu polimeryzacji etylenu wobec metaloorganicznych katalizatorów wanadowych na nośniku magnezowym
1998
The kinetic studies are reviewed on low-pressure polymerization of ethylene over two types of organovanadium catalysts, viz., MgCl 2(THF) 2/VCl 4/Et 2AlCl and MgCl 2(THF) 2VOCl 3Et 2AlCl, each deposited on a magnesium carrier. The polymerization rate was found to be directly related to the catalyst and monomer concentrations (Figs. 2 and 3), unless when the access of the monomer to the reactive V-C bond is restricted by diffusion. Polymer chain termination step was found to result from the reaction of the transfer onto the monomer and to be associated with the regeneration of the active site on which a new macromolecule can be formed. A kinetic model was developed for the ethylene polymeriz…
Defying Stereotypes with Nanodiamonds: Stable Primary Diamondoid Phosphines
2016
International audience; Direct unequal C-H bond difunctionalization of phosphorylated diamantane was achieved in high yield from the corresponding phosphonates. Reduction of the functionalized phosphonates provides access to novel primary and secondary alkyl/aryl diamantane phosphines. The prepared primary diamantyl phosphines are quite air stable compared to their adamantyl and especially alkyl or aryl analogues. This finding is corroborated by comparing the singly occupied molecular orbital energy levels of the corresponding phosphine radical cations obtained by density functional theory computations.
Sustainable Recycling of Insoluble Rust Waste for the Synthesis of Iron-Containing Perovskite-Type Catalysts
2019
Insoluble rust waste from the scraping of rusted iron-containing materials represents a cheap, eco-friendly, and available source of iron. LaFeO3 perovskite-type powders were successfully prepared by solution combustion synthesis using rust waste from an electricity transmission tower manufacturer. Solution combustion synthesis enabled introduction of this insoluble iron precursor directly into the final product, bypassing complex extraction procedures. Catalytic activity in the propylene oxidation of the waste-derived LaFeO3 with stoichiometric Fe/La ratio was almost identical to the commercial iron nitrate-derived LaFeO3 , thus demonstrating the viability of this recycling solution. The a…
Metal salen complexes as ethylene polymerization catalysts - effect of catalytic system composition on its activity and properties of polymerization …
2008
Zsyntetyzowano i zastosowano [po aktywacji metyloaluminoksanem (MAO) lub Et2AlCl] w charakterze katalizatorów niskociśnieniowej polimeryzacji etylenu serię salenowych kompleksów metali przejściowych różniących się rodzajem atomu centralnego (M=Ti, Zr lub V) i budową chemiczną ligandu (schemat A). Stwierdzono, że salenowe kompleksy cyrkonu są aktywne w polimeryzacji jedynie wówczas, gdy aktywator stanowi MAO, natomiast kompleksy tytanu i wanadu są aktywniejsze w przypadku gdy kokatalizatorem jest typowy związek glinoorganiczny - dietylochloroglin. Aktywność kompleksów w układzie z Et2AlCl zmienia się w szeregu V>Ti>>Zr?0, podczas gdy w odniesieniu do kompleksów aktywowanych MAO maleje ona w …