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2022 ◽  
Vol 388 ◽  
pp. 111650
Author(s):  
Jianli Hao ◽  
Mingrui Li ◽  
Wenzhen Chen ◽  
Lei Yu ◽  
Lei Ye

Author(s):  
Miguel Steiner ◽  
Markus Reiher

AbstractAutonomous computations that rely on automated reaction network elucidation algorithms may pave the way to make computational catalysis on a par with experimental research in the field. Several advantages of this approach are key to catalysis: (i) automation allows one to consider orders of magnitude more structures in a systematic and open-ended fashion than what would be accessible by manual inspection. Eventually, full resolution in terms of structural varieties and conformations as well as with respect to the type and number of potentially important elementary reaction steps (including decomposition reactions that determine turnover numbers) may be achieved. (ii) Fast electronic structure methods with uncertainty quantification warrant high efficiency and reliability in order to not only deliver results quickly, but also to allow for predictive work. (iii) A high degree of autonomy reduces the amount of manual human work, processing errors, and human bias. Although being inherently unbiased, it is still steerable with respect to specific regions of an emerging network and with respect to the addition of new reactant species. This allows for a high fidelity of the formalization of some catalytic process and for surprising in silico discoveries. In this work, we first review the state of the art in computational catalysis to embed autonomous explorations into the general field from which it draws its ingredients. We then elaborate on the specific conceptual issues that arise in the context of autonomous computational procedures, some of which we discuss at an example catalytic system. Graphical Abstract


2022 ◽  
Vol 14 (2) ◽  
pp. 902
Author(s):  
Aleksandras Chlebnikovas ◽  
Dainius Paliulis ◽  
Kristina Kilikevičienė ◽  
Artūras Kilikevičius

Cyclones are widely used for separating particles from gas in energy production objects. The efficiency of conventional centrifugal air cleaning devices ranges from 85 to 90%, but the weakness of many cyclones is the low collection efficiency of particles less than 10 μm in diameter. The novelty of this work is the research of the channel-type treatment device, with few levels adapted for precipitation of fine particulate matter, acting by a centrifugal and filtration principle. Many factors have an impact on cyclone efficiency—humidity, temperature, gas (air) composition, airflow velocity and etc. Many scientists evaluated only the effect of origin and size of PM on cyclone efficiency. The effect of gas (air) composition and temperature, and humidity on the multi-channel cyclone-separator efficiency still demands contributions. Complex theoretical and experimental research on air flow parameters and the efficiency of a cylindrical eight-channel system with adjustable half-rings for removing fine-dispersive particles (<20 μm) was carried out. The impact of air humidity and temperature on air flow, and gaseous smoke components on the removal of wood ashes was analyzed. The dusty gas flow was regulated. During the experiment, the average velocity of the cyclone was 16 m/s, and the temperature was 20–50 °C. The current paper presents experimental research results of wood ash removal in an eight-channel cyclone and theoretical methodology for the calculation of airflow parameters and cyclone effectiveness.


2022 ◽  
Vol 99 (12) ◽  
pp. 44-50
Author(s):  
D. V. Plotkin ◽  
T. I. Vinogradova ◽  
M. N. Reshetnikov ◽  
Yu. R. Zyuzya ◽  
M. S. Serdobintsev ◽  
...  

The objective: to create a reproducible model of chronic tuberculosis peritonitis to study pathophysiological mechanisms of its progression and to develop pathogenetically based therapy.Subjects and Methods. The study was performed using 10 male rabbits of the Chinchilla breed. The animals were administered intraperitoneal culture of Mycobacterium tuberculosis, tuberculosis peritonitis modeling was performed according to the proposed method.Results. In the course of the experiment, it was proved that all animals developed tuberculous peritonitis with lesions of the large omentum and serous integuments of internal organs. Molecular genetic tests of fragments of the omentum and peritoneum detected DNA of Mycobacterium tuberculosis.


2022 ◽  
Author(s):  
abdoel

This research is an experimental study involving a group of class VIIa students as an experimental class that aims to determine the effectiveness of the word café method on the motivation and learning outcomes of Civics Education subject at SMP Negeri 1 Mehalaan. The study used an experimental research design—the data collection technique from pretest-posttest and questionnaire. The results showed that the average pre-test score was 40.00 KKM or achieving classical completeness 85%, while for the results of the descriptive analysis in the control class obtained an average value of pre-test of 45.50


Author(s):  
Evangeline Rafael Dap-og ◽  
Maris Jade Q. Orongan

This study determined the students’ academic achievement and engagement in science. A quasi-experimental research design was utilized. The study results showed that students exposed to CAI obtained “fairly satisfactory” results in the post-test, while those exposed to non-CAI showed “needs improvements” both in the pretest and post-test. Moreover, for students’ engagement in science, the CAI group had a high engagement level for affective, cognitive, and behavioral domains. In contrast, the non-CAI group had moderate engagement before and after the intervention. The students’ academic performance in science exposed to CAI is significantly higher than those exposed to non-CAI. Also, there is a significant difference in students’ engagement level for a cognitive domain in favor of CAI. It is concluded that CAI as a science learning tool enhances the students’ cognitive engagement.


Polymers ◽  
2022 ◽  
Vol 14 (2) ◽  
pp. 290
Author(s):  
Tudor Deaconescu ◽  
Andrea Deaconescu

Reducing friction in the coaxial sealing systems of hydraulic cylinders is one of the solutions for increasing the energy efficiency of industrial actuations. This is a requirement, particularly in the case of small velocities that carry the risk of eigen-vibrations and/or stick-slip. The authors discuss the experimental research conducted on three coaxial sealing systems made from thermoplastic polymer and polyurethane type materials. The paper presents the equipment and method used for the experimental determination of static and kinematic friction coefficients and discusses the subsequent results obtained to test different working parameters. The experimentally determined friction coefficients yielded a range of materials recommended for coaxial seals such as to minimize the occurrence of jerky operation.


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