Теория гетерогенного катализа. Теория хемосорбции

2021 ◽  
Author(s):  
Василий Садовников
Keyword(s):  
Heterogeneous Catalysis ◽  
Potential Energy ◽  
Publishing House ◽  
Cell Number ◽  
Oil Refining ◽  
Lateral Interaction ◽  
Reaction Products ◽  
Crystal Face ◽  
Independent Particle ◽  
The Face

This monograph is a continuation of the monograph by V.V. Sadovnikov. Lateral interaction. Moscow 2006. Publishing house "Anta-Eco", 2006. ISBN 5-9730-0017-6. In this work, the foundations of the theory of heterogeneous catalysis and the theory of chemisorption are more easily formulated. The book consists of two parts, closely related to each other. These are the theoretical foundations of heterogeneous catalysis and chemisorption. In the theory of heterogeneous catalysis, an experiment is described in detail, which must be carried out in order to isolate the stages of a catalytic reaction, to find the stoichiometry of each of the stages. This experiment is based on the need to obtain the exact value of the specific surface area of the catalyst, the number of centers at which the reaction proceeds, and the output curves of each of the reaction products. The procedures for obtaining this data are described in detail. Equations are proposed and solved that allow calculating the kinetic parameters of the nonequilibrium stage and the thermodynamic parameters of the equilibrium stage. The description of the quantitative theory of chemisorption is based on the description of the motion of an atom along a crystal face. The axioms on which this mathematics should be based are formulated, the mathematical apparatus of the theory is written and the most detailed instructions on how to use it are presented. The first axiom: an atom, moving along the surface, is present only in places with minima of potential energy. The second axiom: the face of an atom is divided into cells, and the position of the atom on the surface of the face is set by one parameter: the cell number. The third axiom: the atom interacts with the surrounding material bodies only at the points of minimum potential energy. The fourth axiom: the solution of the equations is a map of the arrangement of atoms on the surface. The fifth axiom: quantitative equations are based on the concept of a statistically independent particle. The formation energies of these particles and their concentration are calculated by the developed program. The program based on these axioms allows you to simulate and calculate the interaction energies of atoms on any crystal face. The monograph is intended for students, post-graduate students and researchers studying work and working in petrochemistry and oil refining.

scholarly journals Heterogeneous acidic catalysts for the tetrahydropyranylation of alcohols and phenols in green ethereal solvents

2018 ◽  
Vol 14 ◽  
pp. 1655-1659 ◽  
Author(s):  
Ugo Azzena ◽  
Massimo Carraro ◽  
Gloria Modugno ◽  
Luisa Pisano ◽  
Luigi Urtis
Keyword(s):  
Organic Chemistry ◽  
Heterogeneous Catalysis ◽  
Important Class ◽  
Green Solvents ◽  
Reaction Products ◽  
Reaction Conditions ◽  
One Pot ◽  
Acidic Catalysts ◽  
Set Up ◽  
Work Up

The application of heterogeneous catalysis and green solvents to the set up of widely employed reactions is a challenge in contemporary organic chemistry. We applied such an approach to the synthesis and further conversion of tetrahydropyranyl ethers, an important class of compounds widely employed in multistep syntheses. Several alcohols and phenols were almost quantitatively converted into the corresponding tetrahydropyranyl ethers in cyclopentyl methyl ether or 2-methyltetrahydrofuran employing NH4HSO4 supported on SiO2 as a recyclable acidic catalyst. Easy work up of the reaction mixtures and the versatility of the solvents allowed further conversion of the reaction products under one-pot reaction conditions.

On the stability of crystal lattices. II

1940 ◽  
Vol 36 (2) ◽  
pp. 173-182 ◽  
Author(s):  
Rama Dhar Misra
Keyword(s):  
Potential Energy ◽  
The Body ◽  
Complete Agreement ◽  
Stability Conditions ◽  
Crystal Lattices ◽  
Cubic Lattices ◽  
Simple Lattice ◽  
The Face ◽  
The Law ◽  
The Stability

On the assumption that the potential energy of the three cubic lattices of the Bravais type consists of two terms, an attractive one proportional to r−m and a repulsive one proportional to r−n, n > m, stability conditions are expressed in the form that two functions of the number n should be monotonically increasing. These functions have been calculated numerically for n = 4 to 15, and are represented as curves with the abscissa n. The result is that the face-centred lattice is completely stable, that the body-centred lattice is unstable for large exponents in the law of force, and that the simple lattice is always unstable,—in complete agreement with the results of Part I.

CASTEP Calculation of Surface Energy of α-Al2O3

2012 ◽  
Vol 512-515 ◽  
pp. 490-493 ◽  
Author(s):  
Yan Yuan Liang ◽  
Da Ming Chen ◽  
Jiang Feng Tong
Keyword(s):  
First Principles ◽  
Growth Habit ◽  
First Principles Calculations ◽  
Crystal Face ◽  
Exchange Correlation ◽  
Calculation Results ◽  
The Face ◽  
Α Al2o3 ◽  
Materials Studio ◽  
Good Agreement

First principles calculations were run on bulk and the （110）（001）（012）（113） surfaces of α-Al2O3 in order to examine the growth habit of α-Al2O3 crystals.The Materials Studio package was used, specifically the program CASTEP, utilizing Perdew Burke Ernzerh of exchange-correlation pseudo-potentials. The calculation results shows that the ranking of the face energy on different crystal face are E(001)‹ E(113) ‹ E(012) ‹E(110) which is in good agreement with experiment phenomenon observed that the ranking of the growth rates of different crystal faces are V(001) ‹ V(113) ‹ V(012) ‹ V(110).

Bending of Sandwich Plates of Variable Thickness

1988 ◽  
Vol 55 (2) ◽  
pp. 419-424 ◽  
Author(s):  
N. Paydar ◽  
C. Libove
Keyword(s):  
Potential Energy ◽  
Variable Thickness ◽  
Middle Surface ◽  
Total Potential Energy ◽  
Sandwich Plates ◽  
Energy Principle ◽  
Total Potential ◽  
Small Deflection ◽  
The Face ◽  
Deflection Theory

A small deflection theory, consisting of differential equations and a total potential energy expression, is presented for determining the stresses and deformations in variable thickness elastic sandwich plates symmetric about a middle surface. The theory takes into account the contribution of the face-sheet membrane forces (by virtue of their slopes) to the transverse shear. A finite-difference formulation of the stationary total potential energy principle is presented along with an illustrative application.

On the stability of crystal lattices VIII. Stability of rhombohedral Bravais lattices

1942 ◽  
Vol 38 (1) ◽  
pp. 67-81 ◽  
Author(s):  
H. W. Peng ◽  
S. C. Power
Keyword(s):  
Potential Energy ◽  
Independent Set ◽  
The Body ◽  
Bravais Lattice ◽  
Continuous Series ◽  
Arbitrary Angle ◽  
Absolute Minimum ◽  
Crystal Lattices ◽  
The Face ◽  
The Stability

The main purpose of the paper is an investigation of the stability of a certain class of Bravais lattices, namely, those with a rhombohedral cell of arbitrary angle. The potential energy is assumed to consist of two terms, each proportional to a reciprocal power of the distance. In the continuous series of lattices obtained by changing the rhombohedral angle, there are included the three cubic Bravais lattices, the simple (s), the face-centred (f) and the body-centred (b) lattices. It is shown that (f) and (b) correspond to a minimum of the potential energy, and (s) to a maximum. A method for calculating the potential energy for the intermediate rhombohedral lattices is developed, and, with the help of a certain characteristic function, it is shown by numerical calculation that the (f) lattice corresponds to the absolute minimum of potential energy, and that no extrema, other than (f), (s) and (b), exist. In the last section, the case of a compound (non-Bravais lattice) is considered, and it is shown that the equilibrium and stability conditions for the law of force assumed can be divided into one set for change of volume, and an independent set for change of shape.We take this opportunity of expressing our sincere thanks to Prof. Born for his interest in our work, and for much valuable advice.

Distribution of reaction products (theory). VII. D+ + H2 → DH + H+ using an ab initio potential-energy surface

1969 ◽  
Vol 47 (21) ◽  
pp. 4097-4099 ◽  
Author(s):  
I. G. Csizmadia ◽  
J. C. Polanyi ◽  
A. C. Roach ◽  
W. H. Wong
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Ab Initio ◽  
Energy Surface ◽  
Three Dimensional ◽  
Classical Trajectory ◽  
Reaction Products ◽  
Trajectory Calculation

A three-dimensional classical trajectory calculation has been made of the dynamics of the reaction D+ + H2 → DH + H+. In contrast to earlier trajectory studies the potential-energy surface was obtained ab initio, consequently the results have predictive interest.

scholarly journals Translation and Validation of the Indonesian version of SaringSikap Assessment Form

2021 ◽  
Vol 6 (16) ◽  
Author(s):  
Mohamad Ghazali Masuri ◽  
Nordiyana Othman ◽  
Gunawan Wicaksono ◽  
Khairil Anuar Md Isa
Keyword(s):  
Open Access ◽  
Content Validity ◽  
Road Safety ◽  
Publishing House ◽  
Attitude Assessment ◽  
Safe Driving ◽  
The Face ◽  
International Publishing ◽  
Translation And Validation ◽  
Open Access Article

The purpose of this study was to evaluate the face and content validity of an instrument that had developed to assess the validation of the Indonesian version of the Saringan Skala Sikap Selamat© (SaringSikap) assessment form perceived by Indonesian people. The SaringSikap is also known as Attitude towards Safe Driving Scale © (ASDS). The content validity of the instrument was assessed by I-CVI/UA, yielding scores of .97 and .93, respectively. Findings indicated that this instrument had an excellent face and content validity and could thus be used to validate the Indonesian version of the Attitude towards Safe Driving Scale (ASDS). Keywords: Attitude assessment; translation & validation; road safety eISSN: 2398-4287© 2021. The Authors. Published for AMER ABRA cE-Bs by e-International Publishing House, Ltd., UK. This is an open access article under the CC BYNC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/). Peer–review under responsibility of AMER (Association of Malaysian Environment-Behaviour Researchers), ABRA (Association of Behavioural Researchers on Asians/Africans/Arabians) and cE-Bs (Centre for Environment-Behaviour Studies), Faculty of Architecture, Planning & Surveying, Universiti Teknologi MARA, Malaysia. DOI:

Fo Guang Shan

2019 ◽  
Author(s):  
Kendall Marchman
Keyword(s):  
Chinese Culture ◽  
Publishing House ◽  
Tourist Attraction ◽  
Tourist Destination ◽  
Late 20Th Century ◽  
The World ◽  
Traditional Chinese Culture ◽  
The Face ◽  
The Buddha ◽  
The Temple

Fo Guang Shan is a transnational Buddhist organization that rose to prominence in the late 20th century. Founded in 1967 by the charismatic monk Hsing Yun, who remains the face of the organization, Fo Guang Shan’s main temple and headquarters are in Kaohsiung, Taiwan. The temple has become a major tourist attraction that welcomes millions of visitors annually. Starting in the 1980s, Fo Guang Shan began building other large branch temples around the world, the first of which is Hsi Lai Temple in Hacienda Heights, California. Hsi Lai Temple, like the main Fo Guang Shan campus, has become a popular tourist destination. Fo Guang Shan, Hsi Lai Temple, and the other branches serve their communities with regular services, retreats, festivals, and youth programming that promote Buddhism as well as traditional Chinese culture. The rise of Fo Guang Shan and other Buddhist organizations in Taiwan occurred alongside the economic rise of Taiwan and its citizens. As it continued to grow, the organization developed its own schools and universities, a television station, and a publishing house in order to further spread the teachings of the Buddha.

Seventy Years and Counting: The Canadian Association of Radiologists’ Journal

2020 ◽  
Vol 71 (4) ◽  
pp. 431-436
Author(s):  
Brian Lentle ◽  
D. Ian Hammond ◽  
Stuart Houston
Keyword(s):  
Scientific Journal ◽  
Publishing House ◽  
70Th Anniversary ◽  
Cottage Industry ◽  
Technological Infrastructure ◽  
Strong Case ◽  
Canadian Association ◽  
The Face ◽  
Specialty Society ◽  
Competing Priorities

Canadian radiology has its roots embedded in Montréal and this is no less true of the Canadian Association of Radiologists Journal, now celebrating its 70th Anniversary with the appointment of a new editor. A journal, Les Rayons-X—a monthly illustrated review published in Montréal and edited by Dr Henri Lasnier– preceded it by 40 years. Les Rayons-X was to last only 7 issues. However, Dr Lasnier clearly recognized the importance of a journal to what was then an emerging specialty. By 1950, the Canadian Association of Radiologists became the first specialty society in Canada to publish a scientific journal. We reflect on some facets of the evolution of the journal from a cottage industry to its adoption by a major publishing house and through the hands of 14 editors. In that time, radiology itself has undergone remarkable changes in its technological infrastructure leading to profound changes in the capacity of radiological practitioners and scientists to diagnose and treat disease. These changes themselves impose some constraints on a general radiology journal. The Association has at times faced substantial challenges that led to questions about its ability to sustain a journal in the face of competing priorities. Those challenges will likely recur in the future, not least in the face of other better-resourced journals. As the Canadian Association of Radiologists has evolved into a distinctive voice in Canadian medicine, we argue that a strong case can be made for preserving a platform for Canadian radiology featuring Canadian observations and perspectives, both scientific and “political.”

The Deflection of Electron Reams Traversing A Crystal Face

1985 ◽  
Vol 43 ◽  
pp. 62-63
Author(s):  
J.M. Cowley ◽  
Z.L. Kang
Keyword(s):  
Electron Beam ◽  
Diffraction Pattern ◽  
Potential Field ◽  
Order Term ◽  
Image Force ◽  
Second Order ◽  
Crystal Face ◽  
The Face ◽  
Small X ◽  
Theoretical Results

A serious discrepancy exists between the experimental and theoretical results on the deflection of an electron beam passing parallel to, and just outside, the flat face of a crystal. In a previous paper we reported that for a beam of diameter about 15Å traversing the face of a small gold crystal within a distance of 20Å or less, the central spot of the diffraction pattern is seen to be displaced through angles of up to 10-2 radians. Similar observations had been made for MgO crystals. Rough agreement with the observations could be obtained by assuming the beam to be deflected by a potential field extending into the vacuum and having the formwhere ϕo is the inner potential of the crystal and A, B and C are positive constants. This model for the potential field is based on the assumption of an image force modified for small x by a second order term.

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