Computer Simulation of Xe adsorption in Zeolite Y

1996 ◽  
Vol 431 ◽  
Author(s):  
Vishwas Gupta ◽  
H. Ted Davis ◽  
Alon V. McCormick
Keyword(s):  
Crystal Structure ◽  
Computer Simulation ◽  
Computer Modeling ◽  
Potential Field ◽  
Molecular Level ◽  
Zeolite Y ◽  
Strong Link ◽  
Adsorption Sites ◽  
Commercially Important ◽  
And Diffusion

AbstractComputer modeling of fluids in zeolites can provide a detailed molecular level understanding of the process of adsorption and diffusion under the influence of the 3-D potential field and the confinement offered by the crystal structure. We have shown that there is a strong link between the location, geometry and energetics of sites and the observed thermodynamics and spectroscopy of the adsorbates. Here we report on the modeling of Xe in zeolite Y, which is of interest both because it is commercially important and because it offers two distinct adsorption sites.

scholarly journals Computer Modeling of Aerosol Emissions Spread in the Atmosphere

2019 ◽  
Vol 97 ◽  
pp. 05023 ◽  
Author(s):  
Daler Sharipov ◽  
Sharofiddin Aynakulov ◽  
Otabek Khafizov
Keyword(s):  
Boundary Layer ◽  
Mathematical Model ◽  
Atmospheric Boundary Layer ◽  
Computer Modeling ◽  
Numerical Experiments ◽  
Climatic Factors ◽  
Numerical Algorithms ◽  
Aerosol Emissions ◽  
The Given ◽  
And Diffusion

The paper deals with the development of mathematical model and numerical algorithms for solving the problem of transfer and diffusion of aerosol emissions in the atmospheric boundary layer. The model takes into account several significant parameters such as terrain relief, characteristics of underlying surface and weather-climatic factors. A series of numerical experiments were conducted based on the given model. The obtained results presented here show how these factors affect aerosol emissions spread in the atmosphere.

Structure and hydration of polyvinylpyrrolidone-hydrogen peroxide

2021 ◽  
Author(s):  
Luke I. Chambers ◽  
Dimitrii S. Yufit ◽  
Mark A Fox ◽  
Osama Musa ◽  
Jonathan W Steed
Keyword(s):  
Crystal Structure ◽  
Hydrogen Peroxide ◽  
Commercially Important

The structure of the commercially important polyvinylpyrrolidone-hydrogen peroxide complex can be understood by reference to the co-crystal structure of a hydrogen peroxide complex and its mixed hydrates of a two-monomer...

Robotic Assembly Cell Simulation

1992 ◽  
Author(s):  
Jian Liu ◽  
J. P. Sadler
Keyword(s):  
Computer Simulation ◽  
Computer Modeling ◽  
Collision Detection ◽  
Robotic Assembly ◽  
Research Activities ◽  
Assembly Cell ◽  
Cell Simulation ◽  
Manufacturing Environments

Abstract A flexible robotic assembly cell is described, and some of the research activities involving the cell and robot applications in manufacturing environments are presented. This research relies heavily on computer simulation. Assembly cell computer modeling, cell calibration, robot collision detection, and off-line programming are described in this paper.

Single crystal structure of fully dehydrated fully K+-exchanged zeolite Y (FAU), K71Si121Al71O384

2006 ◽  
Vol 92 (1-3) ◽  
pp. 234-242 ◽  
Author(s):  
Woo Taik Lim ◽  
Sik Young Choi ◽  
Jong Ha Choi ◽  
Young Hun Kim ◽  
Nam Ho Heo ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Zeolite Y ◽  
Single Crystal Structure

Molecular-level computer simulation of a vapor-compression refrigeration cycle

2007 ◽  
Vol 259 (2) ◽  
pp. 195-200 ◽  
Author(s):  
S. Figueroa-Gerstenmaier ◽  
M. Francova ◽  
M. Kowalski ◽  
M. Lisal ◽  
I. Nezbeda ◽  
...  
Keyword(s):  
Computer Simulation ◽  
Molecular Level ◽  
Refrigeration Cycle ◽  
Vapor Compression ◽  
Vapor Compression Refrigeration Cycle ◽  
Vapor Compression Refrigeration

Crystal structure and X-ray luminescence of zeolite Y (Si/Al = 1.69) containing extraframework hafnium(IV)

2019 ◽  
Vol 288 ◽  
pp. 109552 ◽  
Author(s):  
So Yeon Yoon ◽  
Hong Joo Kim ◽  
Nam Ho Heo ◽  
Karl Seff
Keyword(s):  
Crystal Structure ◽  
Zeolite Y ◽  
X Ray

scholarly journals Planning Optimization of the Work Processes of Gas Cleaning Facilities of a Power Plant by Means of Mathematical Processing and Computer Simulation

2018 ◽  
Vol 41 ◽  
pp. 02011 ◽  
Author(s):  
Olesya Aksenova ◽  
Evgenia Nikolaeva
Keyword(s):  
Computer Simulation ◽  
Power Plant ◽  
Computer Modeling ◽  
Power Plants ◽  
Theoretical Calculations ◽  
Building Blocks ◽  
Design Stage ◽  
Work Processes ◽  
Gas Cleaning ◽  
Mathematical Processing

The article seeks to examine the efficiency of applying means of mathematical processing and computer modeling of the work processes of gas cleaning facilities of power plants to optimize the process of planning and designing of future power plant in operation. A way of solution of the gas outbursts cleaning problem at the stage of designing measures for the development of waste processing systems through mathematical processing of expected volumes of gas outbursts and computer simulation of individual pieces of equipment and working areas as a whole is offered. The authors present the results of the processing of the projected technological processes and the gas outbursts cleaning facilities in terms of E-networks and using mathematical processing in the application Simulink, which allows to build a model of the device and to carry out calculations on the screen using the library of building blocks. A 3D model of the gas cleaning facilities, which allows to visualize the technological process and to compare it with theoretical calculations at the design stage of the future power plant and, if necessary, make changes to the project, has been created by means of computer modeling.

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