Search results for "Deactivation"
showing 8 items of 8 documents
Task-induced deactivation in diverse brain systems correlates with interindividual differences in distinct autonomic indices
2018
AbstractNeuroimaging research has shown that different cognitive tasks induce relatively specific activation patterns, as well as less task-specific deactivation patterns. Here we examined whether individual differences in Autonomic Nervous System (ANS) activity during task performance correlate with the magnitude of task-induced deactivation. In an fMRI study, participants performed a continuous mental arithmetic task in a task/rest block design, while undergoing combined fMRI and heart / respiration rate acquisitions using photoplethysmograph and respiration belt. As expected, task performance increased heart-rate and reduced the RMSSD, a cardiac index related to vagal tone. Across partic…
Non-oxidative dehydroaromatization of methane:an effective reaction regeneration cyclic operation for catalyst life extension
2015
[EN] Non-oxidative methane aromatization is an attractive direct route for producing higher hydrocarbons. It is highly selective to benzene despite the low conversion due to thermodynamic limitations, and Mo/H-ZSM-5, the first catalyst proposed for this reaction, is still considered as one of the most adequate. The major problem of this process is the severe catalyst deactivation due to the rapid build-up of carbonaceous deposits on the catalysts. Here we present an effective regeneration procedure that extends the life of Mo/zeolite based catalysts by combining reaction periods of 1.5 h with 0.5 h regeneration steps in a continuous cyclic mode and methane activation after each regeneration…
Inverted energy gap law for the nonradiative decay in fluorescent floppy molecules: larger fluorescence quantum yields for smaller energy gaps
2019
A data survey on experimental fluorescence quantum yields of (multi)substituted dicyano-distyrylbenzenes in fluid solution evidences that non-radiative decay increases with the Franck-Condon energy (E-FC), being opposite to the conventional energy gap law. Quantum-chemistry indicates that this is controlled by access to the conical intersection (CI) following the Bell-Evans-Polanyi principle as a first-step approximation for this family of molecules; the variations in E-FC among the different compounds are found to be decisive, while those of E-CI are estimated to be weaker or even enhancing the effect. The current findings may have significant consequences for the design of molecules for o…
IM-5 zeolite for steam catalytic cracking of naphtha to produce propene and ethene. An alternative to ZSM-5 zeolite
2013
Steam catalytic cracking of naphtha in smaller FCC units can be considered an option to produce more ethene and propene. These units will operate at high reaction temperatures and in the presence of steam. The profitability of these units could be improved with the use of new catalysts with higher activity and hydrothermal stability, without compromising the selectivity to light olefins. We have explored the possibilities of IM-5 zeolite for high temperature steam catalytic cracking (SCC) of a naphtha, as an alternative to commonly used ZSM-5 zeolite. So, we compare the catalytic activity, the effect of operating variables of the process and the yields of interest products between the two z…
Benzyl alcohol to benzaldehyde oxidation on MnOx clusters: Unraveling atomistic features
2021
Abstract The catalytic oxidation of benzyl alcohol with O 2 is a promising option for the production of benzaldehyde, from both environmental and economical viewpoints. In particular, highly dispersed MnO x systems feature good activity and selectivity in a wide range of temperatures, although deactivation phenomena by over-oxidation and/or poisoning of active sites are generally recorded. On this account, a density functional theory study was performed on cluster-sized catalyst models, namely Mn 4 O 8 and over-oxygenated Mn 4 O 9 fragments, to predict the reactivity pattern of MnO x catalysts in the selective aerobic oxidation of benzyl alcohol. Several pathways concur to determine the who…
Structural, energetic and kinetic database of catalytic reactions: Benzyl alcohol to benzaldehyde oxidation on MnOx clusters
2021
Abstract Data here reported are connected with the research article “Benzyl Alcohol to Benzaldehyde Oxidation on MnO x Clusters: Unraveling Atomistic Features” Gueci et al. [1] . This work described and discussed structural and energetic results, calculated by Density Functional Theory (DFT). In order to get kinetic information, DFT results were refined by an original approach, which will be shortly described in the following article. The crossed analysis of experimental and computational energetic and kinetic data allowed to (i) reconstruct the complicated lattice that connects the primary and secondary mechanisms of the reaction and (ii) identify alternative process pathways capable of by…
Photooxidations of Alkenes in Fluorinated Constrained Media: Fluoro-organically Modified NaY as Improved Reactors for Singlet Oxygen “Ene” Reactions
2007
Creating a stationary fluorinated environment inside the zeolite cavity can increase the reactivity observed for intrazeolite photooxidation of alkenes. Exchanging the zeolite with fluorinated organic cations is a much more effective strategy than simply using a fluorinated solvent for slurry irradiations. Use of cations containing C-F bonds is also more efficient than use of deuterated cations for creation of a singlet oxygen friendly environment where the quenching processes are slowed down. Doping the zeolite with fluoro-organic cation 4 resulted in an increase in the singlet oxygen lifetime to 12 micros.
Organometallic VCl4-based catalyst supported on MgCl2(THF)2 for ethylene polymerization
1997
A Ziegler-Natta catalyst was obtained by milling VCl4 with the magnesium support in the from of the MgCl2(THF)2 complex, followed by activation with an organoaluminum compound. This catalyst was employed in low-pressure polymerization of ethylene. The system was found to offer a very high activity and to polymerize ethylene at a rate of a few hundred kg PE/(g Vh) with the resulting molecular weight of the product very high. The kinetic investgation of the polymerization process revealed over 80 % of the transition metal atoms to be involved in the forming catalytic active sites, undergoing virtually no deactivation over the period of time studied.