scholarly journals Role of water in metal catalyst performance for ketone hydrogenation: a joint experimental and theoretical study on levulinic acid conversion into gamma-valerolactone

2014 ◽  
Vol 50 (83) ◽  
pp. 12450-12453 ◽  
Author(s):  
Carine Michel ◽  
Jérémie Zaffran ◽  
Agnieszka M. Ruppert ◽  
Joanna Matras-Michalska ◽  
Marcin Jędrzejczyk ◽  
...  
Keyword(s):  
Levulinic Acid ◽  
Theoretical Study ◽  
Hydrogenation Reaction ◽  
Ruthenium Catalyst ◽  
Metal Catalyst ◽  
Ketone Hydrogenation

Water is essential to attain good performance in a hydrogenation reaction with a ruthenium catalyst.

scholarly journals Role of Alkaline-Earth Metal-Catalyst: A Theoretical Study of Pyridines Hydroboration

2019 ◽  
Vol 7 ◽  
Author(s):  
Yuanyuan Li ◽  
Meijun Wu ◽  
Haohua Chen ◽  
Dongdong Xu ◽  
Lingbo Qu ◽  
...  
Keyword(s):  
Alkaline Earth ◽  
Theoretical Study ◽  
Earth Metal ◽  
Metal Catalyst ◽  
Alkaline Earth Metal

Role of Man in Production and Social Systems Based on Digital Technologies

2020 ◽  
pp. 6-13
Author(s):  
V. K. Potemkin
Keyword(s):  
Theoretical Study ◽  
Social Systems ◽  
Digital Technologies ◽  
Changing Role ◽  
Consistent Approach ◽  
Social Improvement

The article presents the results of a theoretical study of the influence processes of the developed digital technologies and the activities of enterprises and organizations on the changing role of man in labor and their social improvement. The necessity of a balanced and consistent approach to create conditions for the use of digital technologies in practical activities and determining the con- sequences not only in enterprises and organizations, but also in the conscious behavior and social realities of all workers, without exception, is substantiated. The main directions of the development of digital technologies are determined, involving the wide participation of workers in their use in enterprises and organizations.

scholarly journals The Role of La2O3 in Enhancement the Radiation Shielding Efficiency of the Tellurite Glasses: Monte-Carlo Simulation and Theoretical Study

Materials ◽  
2021 ◽  
Vol 14 (14) ◽  
pp. 3913
Author(s):  
Aljawhara H. Almuqrin ◽  
Mohamed Hanfi ◽  
K. G. Mahmoud ◽  
M. I. Sayyed ◽  
Hanan Al-Ghamdi ◽  
...  
Keyword(s):  
Monte Carlo Simulation ◽  
Theoretical Study ◽  
Radiation Shielding ◽  
Photon Flux ◽  
Transmission Factor ◽  
Tellurite Glasses ◽  
Attenuation Coefficients ◽  
Binary Glass ◽  
Buildup Factors

The radiation shielding competence was examined for a binary glass system xLa2O3 + (1 − x) TeO2 where x = 5, 7, 10, 15, and 20 mol% using MCNP-5 code. The linear attenuation coefficients (LACs) of the glasses were evaluated, and it was found that LT20 glass has the greatest LAC, while LT5 had the least LAC. The transmission factor (TF) of the glasses was evaluated against thicknesses at various selected energies and was observed to greatly decrease with increasing thickness; for example, at 1.332 MeV, the TF of the LT5 glass decreased from 0.76 to 0.25 as the thickness increased from 1 to 5 cm. The equivalent atomic number (Zeq) of the glasses gradually increased with increasing photon energy above 0.1 MeV, with the maximum values observed at around 1 MeV. The buildup factors were determined to evaluate the accumulation of photon flux, and it was found that the maximum values for both can be seen at around 0.8 MeV. This research concluded that LT20 has the greatest potential in radiation shielding applications out of the investigated glasses due to the glass having the most desirable parameters.

Role of the Cu-ZrO2 interface in the hydrogenation of levulinic acid to γ-valerolactone

2021 ◽  
Vol 61 ◽  
pp. 446-458
Author(s):  
Ziyi Li ◽  
Haigang Hao ◽  
Jingjing Lu ◽  
Chengming Wu ◽  
Rui Gao ◽  
...  
Keyword(s):  
Levulinic Acid

Role of (H2O)n (n = 2–3) Clusters on the HO2 + O3 Reaction: A Theoretical Study

2015 ◽  
Vol 120 (8) ◽  
pp. 1560-1568 ◽  
Author(s):  
Luís P. Viegas ◽  
António J. C. Varandas
Keyword(s):  
Theoretical Study

Theoretical study on the role of cooperative solvent molecules in the neutral hydrolysis of ketene

2010 ◽  
Vol 127 (5-6) ◽  
pp. 493-506 ◽  
Author(s):  
Xiao-Peng Wu ◽  
Xi-Guang Wei ◽  
Xiao-Ming Sun ◽  
Yi Ren ◽  
Ning-Bew Wong ◽  
...  
Keyword(s):  
Theoretical Study ◽  
Solvent Molecules ◽  
Hydrolysis Of

Promotive Selectivity to C2-C3 Polyols From Alkaline Cellulose Hydrogenated by Ionic Liquid-stablized Ru Nanoparticles

2021 ◽  
Author(s):  
Mingrui Liu ◽  
Hua Wang
Keyword(s):  
Ionic Liquid ◽  
Ethylene Glycol ◽  
Conversion Rate ◽  
Metal Salt ◽  
Hydrogenation Reaction ◽  
Metal Catalyst ◽  
Ru Nanoparticles ◽  
Naoh Solution ◽  
Plausible Mechanism ◽  
Amorphous Part

Abstract Alkaline cellulose hydrogenolysis on metal catalyst was an effective way to get C2~C3 polyols. The alkaline cellulose was obtained by treating cellulose with 4 wt% NaOH solution. Ionic liquid-stablized Ru nanoparticles were prepared by reducing metal salt in ionic liquid. The SEM results indicate that the amorphous part of alkaline cellulose is helpful for getting the catalyst into the cavities to have a further hydrogenation reaction. When hydrogenolysis of alkaline cellulose over Ru/[Bmim]BF4 nanoparticles was conducted at 433 K, 63.78% of the substrate was converted with glycerol, 1,2-propanediol and ethylene glycol as main products of which selectivity was up to 58.91 %, whereas the conversion rate over Ru/C catalyst of alkaline cellulose was 59.23 % and only 26.11 % C2~C3 polyols were detected. Moreover, if the ionic liquid-stablized Ru nanoparticles were doped with 53.7 % Ni, the selectivity of C2~C3 polyols was promoted to 65.07 %. These results suggested the advantages of the ionic liquid-stablized Ru nanoparticles, especially doping with Ni, have potentials for promotive selectivity to C2~C3 alcohols. Put forward the plausible mechanism finally.

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