DFT studies of homogeneous catalysis in the gas phase: Dehydration kinetics of several tertiary alcohols with hydrogen chloride

2011 ◽  
Vol 112 (1) ◽  
pp. 78-88 ◽  
Author(s):  
Jose R. Mora ◽  
David J. Marquez ◽  
Edgar Marquez ◽  
Marcos Loroño ◽  
Tania Cordova ◽  
...  
Keyword(s):  
Gas Phase ◽  
Hydrogen Chloride ◽  
Homogeneous Catalysis ◽  
Dehydration Kinetics ◽  
Dft Studies ◽  
Tertiary Alcohols ◽  
Kinetics Of

scholarly journals The kinetics of the hydrogen chloride oxidation

2013 ◽  
Vol 78 (12) ◽  
pp. 2115-2130 ◽  
Author(s):  
Martinez Gonzalez ◽  
Tanja Vidakovic-Koch ◽  
Rafael Kuwertz ◽  
Ulrich Kunz ◽  
Thomas Turek ◽  
...  
Keyword(s):  
Kinetic Parameters ◽  
Gas Phase ◽  
Hydrogen Chloride ◽  
Reaction Order ◽  
Membrane Electrode ◽  
Polarization Data ◽  
Rate Determining Step ◽  
Electrode Assemblies ◽  
Apparent Kinetic Parameters ◽  
Kinetics Of

Hydrogen chloride (HCl) oxidation has been investigated on technical membrane electrode assemblies in a cyclone flow cell. Influence of Nafion loading, temperature and hydrogen chloride mole fraction in the gas phase has been studied. The apparent kinetic parameters like reaction order with respect to HCl, Tafel slope and activation energy have been determined from polarization data. The apparent kinetic parameters suggest that the recombination of adsorbed Cl intermediate is the rate determining step.

Gas-phase elimination kinetics of selected aliphatic α,β-unsaturated aldehydes catalyzed by hydrogen chloride

2015 ◽  
Vol 28 (4) ◽  
pp. 261-265 ◽  
Author(s):  
Libia L. Julio ◽  
José R. Mora ◽  
Alexis Maldonado ◽  
Gabriel Chuchani
Keyword(s):  
Gas Phase ◽  
Hydrogen Chloride ◽  
Elimination Kinetics ◽  
Unsaturated Aldehydes ◽  
Kinetics Of ◽  
Phase Elimination

Gas Phase Elimination Kinetics of Methyl Mandelate: Experimental and DFT Studies

2009 ◽  
Vol 113 (44) ◽  
pp. 12157-12162 ◽  
Author(s):  
Alexandra Rotinov ◽  
Luz Escalante ◽  
Beatriz Ramirez ◽  
Desiree Pereira ◽  
Tania Córdova ◽  
...  
Keyword(s):  
Gas Phase ◽  
Dft Studies ◽  
Elimination Kinetics ◽  
Kinetics Of ◽  
Phase Elimination

Kinetics and mechanisms of gas-phase decarbonylation of α-methyl-trans-cinamaldehyde and E-2-methyl-2-pentenal under homogeneous catalysis of hydrogen chloride

2014 ◽  
Vol 27 (5) ◽  
pp. 450-455 ◽  
Author(s):  
Libia L. Julio ◽  
Jesus Lezama ◽  
Alexis Maldonado ◽  
José R. Mora ◽  
Gabriel Chuchani
Keyword(s):  
Gas Phase ◽  
Hydrogen Chloride ◽  
Homogeneous Catalysis

The kinetics of the pyrolysis of Cyclohexyl chloride.

1958 ◽  
Vol 11 (3) ◽  
pp. 314 ◽  
Author(s):  
ES Swinbourne
Keyword(s):  
Gas Phase ◽  
Hydrogen Chloride ◽  
Rate Coefficient ◽  
Initial Pressure ◽  
Order Reaction ◽  
Rate Coefficients ◽  
Homogeneous Reaction ◽  
First Order ◽  
Induction Periods ◽  
Kinetics Of

cycloHexy1 chloride has been shown to decompose in the gas phase at 318-385 �C almost exclusively to cyclohexene and hydrogen chloride. With clean glass-walled reactors the reaction was largely heterogeneous, but after the walls were coated with a carbonaceous film a homogeneous first-order reaction was found to predominate. For initial pressures within the range 4-40 cm mercury the rate coefficients for the homogeneous reaction were expressible as������� k = 5.88 x 1013exp(-50,000 cal/RT) sec-1. There was some evidence for the rate coefficient becoming pressure-dependent below 5-10 mm initial pressure of reactant. The reaction exhibited no induction periods and the velocity was virtually unaffected by the addition of large amounts of propene or cyclohexene and traces of chlorine or bromine. The results were consistent with a unimolecular elimination of hydrogen chloride.

The kinetics and mechanisms of the gas phase pyrolyses of exo-2-norbornyl chloride and cyclopentyl chloride

1979 ◽  
Vol 57 (19) ◽  
pp. 2621-2625 ◽  
Author(s):  
J. L. Holmes ◽  
D. L. McGillivray ◽  
D. Yuan
Keyword(s):  
Gas Phase ◽  
Hydrogen Chloride ◽  
Isotope Effect ◽  
Deuterium Isotope Effect ◽  
Temperature Range ◽  
Elimination Reactions ◽  
Chloride Elimination ◽  
Kinetics Of

The gas phase pyrolyses of exo-2-norbornyl chloride and cyclopentyl chloride were studied in the temperature range 570–670 K. The results obtained show that these compounds behave as typical secondary halides insofar as the kinetics of their hydrogen chloride elimination reactions are concerned. Labelling experiments showed that in the formation of both norbornene and cyclopentene, a cis-1,2 elimination with a deuterium isotope effect of ∼3 was involved. Nortricyclene also was produced from exo-2-norbornyl chloride, via a trans 1,3 elimination; this process is analogous to a fragmentation of the ionized molecule. No gas phase Wagner–Meerwein rearrangement was involved in the formation of either norbornene or nortricyclene.

Catalysis by hydrogen chloride in the gas-phase elimination kinetics of 2-phenyl-2-propanol and 3-methyl-1-buten-3-ol

2007 ◽  
Vol 20 (1) ◽  
pp. 44-48 ◽  
Author(s):  
Rafael J. Rasse ◽  
Rosa M. Domínguez ◽  
Armando Herize ◽  
Maria Tosta ◽  
Doris Brusco ◽  
...  
Keyword(s):  
Gas Phase ◽  
Hydrogen Chloride ◽  
Elimination Kinetics ◽  
Kinetics Of ◽  
Phase Elimination
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