Search results for "heterogeneous catalyst"
showing 6 items of 16 documents
Switch in Relative Stability between cis and trans 2-Butene on Pt(111) as a Function of Experimental Conditions: A Density Functional Theory Study
2018
International audience; The adsorption of cis and trans 2-butenes on Pt(111) has been studied as a function of hydrogen coverage OH by means of calculations based on density functional theory (DFT) with the inclusion of dispersion forces. All hydrogen coverages have been considered, from 0 to 1.00 monolayer (ML). For each case, the di-sigma and pi adsorption geometries of the olefins have been compared at a surface coverage of theta(C4H8) = 0.11 ML. Calculations of the Gibbs free energies of these systems have identified the most stable 2-butene isomer (cis or trans) as a function of coverage, temperature, and pressure. In particular, focus was placed on two sets of conditions, namely, one …
Conversion of Xylose to Furfural over Lignin-Based Activated Carbon-Supported Iron Catalysts
2020
In this study, conversion of xylose to furfural was studied using lignin-based activated carbon-supported iron catalysts. First, three activated carbon supports were prepared from hydrolysis lignin with different activation methods. The supports were modified with different metal precursors and metal concentrations into five iron catalysts. The prepared catalysts were studied in furfural production from xylose using different reaction temperatures and times. The best results were achieved with a 4 wt% iron-containing catalyst, 5Fe-ACs, which produced a 57% furfural yield, 92% xylose conversion and 65% reaction selectivity at 170 °
Kompleksy metali przejściowych z zasadami Lewisa jako prekursory katalizatorów polimeryzacji olefin. Cz. I. Postęp w komputerowym modelowaniu procesu…
2001
A review with 35 references covering molecular modeling in coordination polymerization over homogeneous and heterogeneous Ziegler-Natta catalysts. The study includes supports, cocatalysts, Lewis bases and solvents. Recent progress in elucidating the mechanisrn of elementary polymerization steps is presented against the background of rapidly deveIoping computational methods and available computational power. Theoretical studies on polymerization mcchanisms and structure of active centers are described (egns. 1-4). Authors own calculations are used to compare [MtC14(THF)2] complex-based (Mt = Ti, Hf or Zr) heterogeneous catalysts. The geometrical characteristics of precursors is presented (Ta…
Lignin-based activated carbon-supported metal oxide catalysts in lactic acid production from glucose
2021
In this study, heterogeneous biomass-based activated carbon-supported metal oxide catalysts were prepared and tested for lactic acid production from glucose in aqueous solution. Activated carbons were produced from hydrolysis lignin by chemical (ZnCl2) or steam activation and modified with a nitric acid treatment and Sn, Al, and Cr chlorides to obtain carbon-based metal oxide catalysts. The modification of the carbon support by nitric acid treatment together with Sn and Al oxides led to an increase in lactic acid yield. The highest lactic acid yield (42%) was obtained after 20 minutes at 180 °C with the Sn/Al (5/2.5 wt.%) catalyst on steam-activated carbon treated by nitric acid. Reusabilit…
Production of ethyl lactate by activated carbon-supported Sn and Zn oxide catalysts utilizing lignocellulosic side streams
2021
In this study, activated carbon-supported Sn and Zn oxide catalysts were prepared from hydrolysis lignin and used for the conversion of model solutions of trioses, hexoses, and lignocellulosic biomass hydrolysates to ethyl lactate. Both catalysts, SnO2@AC and ZnO@AC, were able to produce ethyl lactate in high yields. SnO2@AC was a more active and selective catalyst in triose (dihydroxyacetone) conversion, providing 99% yield to ethyl lactate. ZnO@AC, by contrast, was more selective in glucose and hydrolysate conversion, with a yield of 60% and 85%, respectively. The ethyl lactate yields were significantly higher than those from the optimized model solution experiments when using ZnO@AC cata…
Hydrothermal liquefaction of municipal sludge in sub- and super- critical water
2020
Hydrothermal liquefaction of municipal sludge was conducted to investigate the effects of sub- and supercritical water and of the fluid dynamic regime on the quality of the products. Preliminary experimental runs were performed at two different temperatures (350°C and 400°C) changing reaction time in order to work at fixed kinetic severity of the process. An improvement of the C content in the solid residues and of the ratio H/C of the biocrude was obtained when a stirred reactor was used both in sub- and supercritical water. A hydrocarbon fraction was separated from biocrude whose maximum yield of 25% w/w was achieved in supercritical conditions. Results showed that the cumulative energy r…