Search results for "catalysts"
showing 10 items of 164 documents
Kluczowa rola katalizatora w rozwoju poliolefin
2008
DFT Prediction of Enhanced Reducibility of Monoclinic Zirconia upon Rhodium Deposition.
2018
Oxides are an important class of materials and are widely used, for example, as supports in heterogeneous catalysis. In a number of industrial catalytic processes, oxide supports actively participate in chemical transformations by releasing lattice oxygen anions. While this is intuitively understood for reducible oxides, the reducibility of irreducible oxides may be modified via nanoengineering or upon inclusion of foreign species. Our calculations predict that the ability of irreducible monoclinic zirconia to release oxygen improves substantially upon deposition of rhodium. Through a comprehensive screening of Rh/ZrO2 with different size of the rhodium species, we find that a Rh adatom and…
New Evidence of the Enhanced Elimination of a Persistent Drug Used as a Lipid Absorption Inhibitor by Advanced Oxidation with UV-A and Nanosized Cata…
2019
This work demonstrates new evidence of the efficient destruction and mineralization of an emergent organic pollutant using UV-A and titanium nanosized catalysts. The target compound considered in this work is the primary metabolite of a lipid regulator drug, clofibrate, identified in many studies as refractory during conventional wastewater treatment. The photocatalytic performance study was carried out in batch mode at laboratory scale, in aqueous suspension. Kinetic data showed that titanium dioxide P25 Aeroxide® exhibits the highest photocatalytic efficiency compared to the other investigated catalysts. Pollutant degradation and mineralization efficiencies strongly increased when decreas…
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.
A supported titanium postmetallocene catalyst: Effect of selected conditions on ethylene polymerization
2011
Ethylene polymerization with a titanium complex [N,N-ethylenebis(3-methoxysalicylideneiminato)titanium dichloride] immobilized on the magnesium support with the formula MgCl2(THF)0.32(Et2AlCl)0.36 was studied. In particular, the effects of polymerization temperature, monomer pressure, and polymerization time on the activity of the catalyst and on the polyethylene properties (molecular weight and its distribution, melting point, crystallinity, and bulk density) were evaluated. The findings of investigations prove that the studied supported titanium catalyst is highly active in ethylene polymerization, and its activity increases with increasing temperature and monomer pressure. Moreover, stab…
Ethylene polymerization with FI complexes having novel phenoxy‐imine ligands: Effect of metal type and complex immobilization
2011
A series of bis(phenoxy‐imine) vanadium and zirconium complexes with different types of R3 substituents at the nitrogen atom, where R3 = phenyl, naphthyl, or anthryl, was synthesized and investigated in ethylene polymerization. Moreover, the catalytic performance was verified for three supported catalysts, which had been obtained by immobilization of bis[N‐(salicylidene)‐1‐naphthylaminato]M(IV) dichloride complexes (M = V, Zr, or Ti) on the magnesium carrier MgCl2(THF)2/Et2AlCl. Catalytic performance of both supported and homogeneous catalysts was verified in conjunction with methylaluminoxane (MAO) or with alkylaluminium compounds (EtnAlCl3−n, n = 1–3). The activity of FI vanadium and zirc…
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…