Search results for "Process Chemistry and Technology"
showing 10 items of 716 documents
Alkane dehydrogenation on defective BN quasi-molecular nanoflakes: DFT studies
2020
Lower alkanes are feedstocks readily available but relatively inert. The con- version of low cost alkanes to industrially relevant alkenes is usually carried out on metal-based heterogeneous catalysts. Considering both the cost and the potential harmfulness of the metal involved in the dehydrogenation cat- alysts (typically, platinum or chromium), the study of metal-free processes represents an important challenge for the industrial chemistry in order to address more sustainable protocols and different routes either to activate or transform alkanes. Framed in this context, it was investigated, using a den- sity functional theory approach, the potential dehydrogenation activity of de- fectiv…
Anatase photocatalyst with supported low crystalline TiO2: The influence of amorphous phase on the activity
2018
Abstract In a previous study on commercial TiO2 nanoparticles (J. Soria et al.) we had shown that the superficial disordered layers influence their textural and reactivity features. In the present work we used well crystallized anatase particles (commercial TiO2, BDH) as support of different amounts of titania powders, prepared by TiCl4 hydrolysis and constituted by nanocrystals diluted into an amorphous matrix. The reactivity of these photocatalysts has been tested for the selective oxidation of 4-methoxybenzyl alcohol to aldehyde in aqueous suspension. The catalyst characteristics have been studied using adsorption-desorption isotherms, TEM, HRTEM, TGA, PL, DRIFT-IR, and 1H MAS-NMR spectr…
Photocatalytic oxidation of aromatic alcohols to aldehydes in aqueous suspension of home prepared titanium dioxide
2008
In this paper some intrinsic electronic properties of home prepared (HP) TiO2 catalysts were investigated by diffuse reflectance spectroscopy and quasi-Fermi level measurements. These powders were used for carrying out the photocatalytic oxidation of benzyl alcohol to benzaldehyde and CO2 in water; the selectivity for aldehyde formation was enhanced by the addition of small amounts of ethanol, a typical hole trap. The values of band gap, valence band and conduction band edges are almost identical for all the HP samples in which anatase phase is predominant, whereas appreciable differences can be noticed for an HP sample containing high amount of rutile phase. A comparative ATR-FTIR study of…
Stabilization of anti-leukemic enzyme l-asparaginase by immobilization on polysaccharide levan
2001
Abstract Biologically active fructose polymer levan from Zymomonas mobilis of different molecular mass (75 and 2000 kDa) was covalently coupled to anti-leukemic enzyme Erwinia carotovora l -asparaginase. The method used for the immobilization of the enzyme involved periodate oxidation of the polysaccharide, followed by reductive alkylation. A gentle periodate oxidation of levan (oxidation degree ≤24%) resulted in the highest residual enzyme activity (≥55%). The K m(app.) of glycoconjugates was higher than the K m of native l -asparaginase. The conjugation of l -asparaginase widened the optimum pH range of the enzyme. The electrophoretic mobility in polyacrylamide gel of glycoconjugates obta…
Novel diamine-bis(phenolate) Ti(IV) complexes – tuning the complex structure to control catalytic properties in α-olefin polymerization
2016
Abstract Four monomeric titanium(IV) dichloride complexes of amine-bis(phenolate) ligands having an extra donor arm (2a–2d) and one oxo-bridged complex 3 were successfully synthesized in the reaction of TiCl4 with a sodium salt of the appropriate ligand, and they were characterized by 1H NMR spectroscopy. The ligands had either a dimethylamino side‐arm donor and t-Bu substituents on both (1a) and one (1d) phenolate rings or a diisopropylamino side-arm donor and t-Bu (1b) and t-Bu along with OMe (1c) phenolate substituents. All complexes upon activation with [Ph3CB(C6F5)4] and MAO were used to catalyze polymerization of 1-octene (in liquid monomer) into poly(1-octene). Their activities as we…
Performance of dye-sensitized solar cells based on novel sensitizers bearing asymmetric double D−π−A chains with arylamines as donors
2012
Abstract Three novel, metal-free organic sensitizers bearing two asymmetric double donor-π-acceptor (D-π-A) chains ( DC1 - 3 ), each, and a reference dye containing single D-π-A chain ( SC ) with cyanoacrylic acid as electron acceptor are synthesized. Their photophysical, electrochemical properties and the performances of the corresponding dye-sensitized solar cells (DSSCs) are further investigated. The dyes, DC1, DC2 and DC3 contain one chain with diphenylamine and another chain with carbazole or phenothiazine as electron donor, while diphenylamine is only employed as electron donor in SC . Compared to the inferior solar energy to electricity conversion efficiency ( η ) of 2.82%, 4.66% and…
Improving lipase activity in solvent-free media by interfacial activation-based molecular bioimprinting
1997
Abstract Nine lipases of mammalian, fungal and bacterial origin and two different model reactions, direct esterification and transesterification (alcoholysis), have been used to probe the potential in solvent-free media of the recently reported strategy of interfacial activation-based molecular (bio)imprinting (IAMI) [Mingarro et al., Proc. Natl. Acad. Sci. USA , 92 (1995) 3308]. The results demonstrate that the imprinting treatment permits nonaqueous rate accelerations which are lipase-dependent and span in some cases up to higher than two orders of magnitude. For several lipases, the method allows conversion yields after short reaction times (in either of the model reactions assayed) whic…
2-Chloro/phenyl-7-arylimino-6,6-dimethylcyclopenta[b]pyridylnickel chlorides: Synthesis, characterization and ethylene oligomerization
2017
Abstract 2-Chloro/phenyl-7-arylimino-6,6-dimethylcyclopenta[b]pyridylnickel chlorides (Ni1–Ni8) were synthesized from the respective ligands L1–L8 and characterized. Upon activation with either methylaluminoxane (MAO) or ethylaluminium sesquichloride (EASC), they show high catalytic activity of up to 10.84 × 106 g(oligomer) mol− 1(Ni) h− 1 in ethylene oligomerization. The products range from butenes to dodecenes for Ni1–Ni4, but are limited to butenes and hexenes in the case of Ni5–Ni8. DFT calculations indicate that the Ni C bond length in the model alkyl complexes depends both on the nature of the substituents at the heterocycles and the kind of the alkyl group, shedding some light on the…
Synthesis and catalytic studies of Ti-anchored disilanol isobutyl-POSS/alkylaluminum system
2012
Abstract Titanium (IV) precursors anchored to alkyl substituted polyhedral oligomeric silsesquioxane (POSS) disilanol were prepared and characterized. These catalysts formulated as [Ti(O^O)2] and [M(O^O)XCl] are found to be active in polymerization of ethylene at high temperatures in combination with ethylaluminum sesquichloride (Et3Al2Cl3) as co-catalyst. The polyethylene product so obtained is linear, crystalline and displays narrow dispersities. The unique low molecular weight PE formed in this reaction exhibit properties that have potential industrial applications. The effect of various reaction parameters on catalyst performance is described.
Synthesis, characterization and catalytic behavior of AlTf/UVM-7 as new green catalysts for the glycols etherification reactions
2010
Abstract Bimodal porous Al–UVM-7 system materials with different Si-to-Al ratios were prepared using the Atrane route. These were converted in strong acid heterogeneous AlTf-based catalysts after the treatment with methanolic solutions of triflic acid. The materials so obtained were used as catalysts for the conversion of ethylene glycol (EG) and propylene glycol (PG) with octanol under solvent-free conditions. The process is selective to short ethoxylated structures resulting in the corresponding monoethers. While the conversion of EG and PG was very high (>94%) irrespective of the support characteristics, 1-octanol was transformed only in low degree (3–35%), and its conversion depends on …