Hydrogenation by spillover of hydrogen from metal to acidic support or by reverse spillover of the reactant molecule from the support to the metal

Author(s):  
R. Prins
2019 ◽  
Vol 33 (2) ◽  
pp. 1467-1472 ◽  
Author(s):  
Minh-Tuan Nguyen ◽  
Gerhard D. Pirngruber ◽  
Florian Albrieux ◽  
Fabien Chainet ◽  
Melaz Tayakout-Fayolle ◽  
...  

Author(s):  
Tomas Baer ◽  
William L. Hase

The RRKM rate constant as given by equation (6.73) in the previous chapter is expressed as a ratio of the sum of states in the transition state and the density of states in the reactant molecule. An accurate calculation of this rate constant requires that all vibrational anharmonicity and vibrational/rotational coupling be included in calculating the sum and density.


2019 ◽  
Vol 580 ◽  
pp. 93-101 ◽  
Author(s):  
Daniel Ballesteros-Plata ◽  
Antonia Infantes-Molina ◽  
Enrique Rodríguez-Castellón
Keyword(s):  

2017 ◽  
Vol 7 (15) ◽  
pp. 3268-3274 ◽  
Author(s):  
Yanxiu Gao ◽  
Weinan Yang ◽  
Xiaodong Wu ◽  
Shuang Liu ◽  
Duan Weng ◽  
...  

Platinum nanoparticles were synthesized by a classic polyol process in ethylene glycol.


1985 ◽  
Vol 63 (7) ◽  
pp. 1532-1541 ◽  
Author(s):  
Tokio Yamabe ◽  
Cheng-Da Zhao ◽  
Masahiko Koizumi ◽  
Akitomo Tachibana ◽  
Kenichi Fukui

The dehydrogenation reaction paths of methanethiol CH3SH were analyzed by abinitio MO calculations. The geometries and energies of the reactants, transition states, and products have been determined on the singlet potential energy surface of the ground state. We also analyze the similar dehydrogenation reactions of methanol (CH3OH) and ethanol (CH3CH2OH) for the purpose of comparison. The activation energy and the heat of reaction calculated by incorporating the effect of electronic correlation shows that the product H2C=S is chemically more unstable than the product H2C=O. "Reaction ergodography" along the intrinsic reaction coordinate (IRC) for these dehydrogenation paths clarifies the distinct differences in atomic movement. The path of methanethiol has two characteristic steps before the transition state, while neither paths of the two carbinols have such multisteps. The electronic intramolecular interaction between subsystems of the reactant molecule is investigated in terms of Interaction Hybrid Molecular Orbital (IHMO).


2019 ◽  
Vol 19 (3) ◽  
pp. 235-239
Author(s):  
G. V. Echevsky

Sulfur resistance of nickel, platinum and palladium metals on acid supports was studied depending on the support nature. Catalysts comprising nickel, platinum, palladium metals and sulfides as hydro-dehydrogenating components were examined for hydrocracking of n-octane. HY, ZSM-5, ZSM-23, ZSM-12, as well as silicoaluminophosphates SAPO-11 and SAPO-31 were used as the supports. The sulfur resistance of the supported metals in the catalysts was shown different and independent of the properties of the acidic support under the reaction conditions. Hydrocracking follows two different pathways depending on the activity and nature of the hydro-, dehydrogenating component (a metal or the sulfide), as well as on the ratio of activities of the acidic and hydrogenating components. The first pathway is preferable cracking of the initial paraffin at the early stage, and the second is dehydrogenation of the initial paraffin.


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