Modelling of fixed bed catalytic reactors catalyst poisoning

1985 ◽  
Vol 50 (10) ◽  
pp. 2228-2244
Author(s):  
Jozef Markoš ◽  
Alena Brunovská ◽  
Ján Ilavský
Keyword(s):  
Nickel Catalyst ◽  
Catalyst Deactivation ◽  
Fixed Bed ◽  
Catalyst Poisoning ◽  
Catalytic Reactors ◽  
Heterogeneous Models ◽  
In Series ◽  
Model Equations

The paper deals with modelling of catalytic reactors in which an irreversible catalyst deactivation takes place. The dimensionless model equations are derived for heterogeneous models of well-mixed regions in series, an algorithm for their solution is proposed. The obtained results are compared with experimental ones in the case of hydrogenation of benzene on a nickel catalyst with thiophene as a poison.

Kinetics of nickel catalyst poisoning

1980 ◽  
Vol 57 (5) ◽  
pp. 149-153 ◽  
Author(s):  
B. Drozdowski ◽  
M. Zajac
Keyword(s):  
Nickel Catalyst ◽  
Catalyst Poisoning ◽  
Kinetics Of

Computationally-Guided Investigation of Dual Amine/pi Lewis Acid Catalysts for Direct Additions of Aldehydes and Ketones to Unactivated Alkenes and Alkynes

2020 ◽  
Author(s):  
Eric Greve ◽  
Jacob D. Porter ◽  
Chris Dockendorff
Keyword(s):  
Lewis Acid ◽  
Density Functional ◽  
Acid Catalyst ◽  
Metal Catalyst ◽  
Catalyst Poisoning ◽  
Lewis Acid Catalysts ◽  
Metal Ligands ◽  
Aldehydes And Ketones ◽  
Lewis Acid Catalyst ◽  
Catalyst Systems

Dual amine/pi Lewis acid catalyst systems have been reported for intramolecular direct additions of aldehydes/ketones to unactivated alkynes and occasionally alkenes, but related intermolecular reactions are rare and not presently of significant synthetic utility, likely due to undesired coordination of enamine intermediates to the metal catalyst. We reasoned that bulky metal ligands and bulky amine catalysts could minimize catalyst poisoning and could facilitate certain examples of direct intermolecular additions of aldehyde/ketones to alkenes/alkynes. Density Functional Theory (DFT) calculations were performed that suggested that PyBOX-Pt(II) catalysts for alkene/alkyne activation could be combined with MacMillan’s imidazolidinone organocatalyst for aldehyde/ketone activation to facilitate desirable C-C bond formations, and certain reactions were calculated to be more exergonic than catalyst poisoning pathways. As calculated, preformed enamines generated from the MacMillan imidazolidinone did not displace ethylene from a biscationic (<i>t</i>-Bu)PyBOX-Pt<sup>2+</sup>complex, but neither were the desired C-C bond formations observed under several different conditions.

Computationally-Guided Investigation of Dual Amine/pi Lewis Acid Catalysts for Direct Additions of Aldehydes and Ketones to Unactivated Alkenes and Alkynes

2020 ◽  
Author(s):  
Eric Greve ◽  
Jacob D. Porter ◽  
Chris Dockendorff
Keyword(s):  
Lewis Acid ◽  
Density Functional ◽  
Acid Catalyst ◽  
Metal Catalyst ◽  
Catalyst Poisoning ◽  
Lewis Acid Catalysts ◽  
Metal Ligands ◽  
Aldehydes And Ketones ◽  
Lewis Acid Catalyst ◽  
Catalyst Systems

Dual amine/pi Lewis acid catalyst systems have been reported for intramolecular direct additions of aldehydes/ketones to unactivated alkynes and occasionally alkenes, but related intermolecular reactions are rare and not presently of significant synthetic utility, likely due to undesired coordination of enamine intermediates to the metal catalyst. We reasoned that bulky metal ligands and bulky amine catalysts could minimize catalyst poisoning and could facilitate certain examples of direct intermolecular additions of aldehyde/ketones to alkenes/alkynes. Density Functional Theory (DFT) calculations were performed that suggested that PyBOX-Pt(II) catalysts for alkene/alkyne activation could be combined with MacMillan’s imidazolidinone organocatalyst for aldehyde/ketone activation to facilitate desirable C-C bond formations, and certain reactions were calculated to be more exergonic than catalyst poisoning pathways. As calculated, preformed enamines generated from the MacMillan imidazolidinone did not displace ethylene from a biscationic (<i>t</i>-Bu)PyBOX-Pt<sup>2+</sup>complex, but neither were the desired C-C bond formations observed under several different conditions.

Hydrophobic hydrogen anode with a nickel catalyst

1982 ◽  
Vol 47 (12) ◽  
pp. 3230-3235 ◽  
Author(s):  
Olga Marholová ◽  
Karel Smrček
Keyword(s):  
Surface Area ◽  
Nickel Catalyst ◽  
Raney Nickel ◽  
Platinum Catalyst ◽  
Raney Nickel Catalyst ◽  
Electrochemical Parameters ◽  
Geometric Surface ◽  
Geometric Surface Area ◽  
Hydrogen Anode ◽  
In Cells

A hydrophobic porous hydrogen anode was prepared whose electrochemical parameters are comparable with anodes containing a platinum catalyst. For its successful preparation, oxidation of the Raney nickel catalyst with air oxygen or with fluorine from Teflon must be prevented. The electrodes of a geometric surface area up to 450 cm2 were tested in cells and modules filled with 7M-KOH.

Catalyst Selection for Hydrogenation of 1,2-Dihydroacenaphthylene

1998 ◽  
Vol 63 (11) ◽  
pp. 1945-1953 ◽  
Author(s):  
Jiří Hanika ◽  
Karel Sporka ◽  
Petr Macoun ◽  
Vladimír Kysilka
Keyword(s):  
Activation Energy ◽  
Nickel Catalyst ◽  
Palladium Catalyst ◽  
Active Component ◽  
Reaction Order ◽  
Nickel Catalysts ◽  
Practical Application ◽  
Repeated Use ◽  
Selection For ◽  
Catalyst Selection

The activity of ruthenium, palladium, and nickel catalysts for the hydrogenation of 1,2-dihydroacenaphthylene in cyclohexane solution was studied at temperatures up to 180 °C and pressures up to 8 MPa. The GC-MS technique was used to identify most of the perhydroacenaphthylene stereoisomers, whose fractions in the product were found dependent on the nature of the active component of the catalyst. The hydrogenation was fastest on the palladium catalyst (3% Pd/C). The nickel catalyst Ni-NiO/Al2O3, which is sufficiently active also after repeated use, can be recommended for practical application. The activation energy of 1,2-dihydroacenaphthylene hydrogenation using this catalyst is 17 kJ/mol, the reaction order with respect to hydrogen is unity.

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