Computer Simulations of Diffusion, Adsorption and Reaction of Organic Molecules in Pillared Clays

1987 ◽  
Vol 111 ◽  
Author(s):  
Muhammad Sahimi ◽  
Theodore T. Tsotsis ◽  
Mario L. Occelli
Keyword(s):  
Experimental Data ◽  
Monte Carlo ◽  
Organic Molecules ◽  
Effective Diffusivity ◽  
Pillared Clays ◽  
Recent Experimental Data ◽  
Accurate Data ◽  
Gas Oil ◽  
New Class ◽  
Dynamic Monte Carlo

AbstractDiffusion and reaction of large organic molecules in pillared clays, a new class of catalysts capable of converting gas oil into transportation fluids, is investigated. We first discuss some recent experimental data and point out the possible difficulties for obtaining accurate data. We, then, discuss a new model for describing diffusion and reaction of large organic molecules in pillared clays. The model employs stochastic and random walk concepts to model the diffusion process, and a dynamic Monte Carlo method for predicting various properties of interest, such as the effective diffusivity of the molecules.

Atomistic and Continuum Simulations of the Homo-Epitaxial Growth of SiC

2009 ◽  
Vol 615-617 ◽  
pp. 73-76 ◽  
Author(s):  
Massimo Camarda ◽  
Antonino La Magna ◽  
Francesco La Via
Keyword(s):  
Experimental Data ◽  
Phase Diagram ◽  
Growth Rate ◽  
Silicon Carbide ◽  
Monte Carlo ◽  
Kinetic Monte Carlo ◽  
Recent Experimental Data ◽  
Homoepitaxial Growth ◽  
Continuous Models ◽  
Kinetic Monte Carlo Simulations

Using joined super-lattice Kinetic Monte Carlo simulations, continuous modelling and recent experimental data on the homoepitaxial growth of 4H Silicon Carbide we study the transition between monocrystalline and polycrystalline growth in terms of misorientation cut, growth rate and temperature. We compare these optimally calibrated results both with previous continuous models and literature data. We demonstrate that this study was, indeed, necessary to correctly reformulate the phase diagram of the transition.

Fusion and Breakup Reactions of 17S + 208Pb and 15C + 232ThHalo Nuclei Systems

2015 ◽  
Vol 11 (2) ◽  
pp. 2972-2978
Author(s):  
Fouad A. Majeed ◽  
Yousif A. Abdul-Hussien
Keyword(s):  
Experimental Data ◽  
Cross Section ◽  
Fusion Reaction ◽  
Fusion Cross Section ◽  
Reaction Cross ◽  
Recent Experimental Data ◽  
Barrier Distribution ◽  
Coupled Channel ◽  
Total Fusion ◽  
Full Quantum

In this study the calculations of the total fusion reaction cross section have been performed for fusion reaction systems 17F + 208Pb and 15C + 232Th which involving halo nuclei by using a semiclassical approach.The semiclassical treatment is comprising the WKB approximation to describe the relative motion between target and projectile nuclei, and Continuum Discretized Coupled Channel (CDCC) method to describe the intrinsic motion for both target and projectile nuclei. For the same of comparsion a full quantum mechanical clacualtions have been preforemd using the (CCFULL) code. Our theorticalrestuls are compared with the full quantum mechaincialcalcuations and with the recent experimental data for the total fusion reaction  checking the stability of the distancesThe coupled channel calculations of the total fusion cross section σfus, and the fusion barrier distribution Dfus. The comparsion with experiment proves that the semiclassiacl approach adopted in the present work reproduce the experimental data better that the full quantal mechanical calcautions. 

scholarly journals A Simulation of the Effects of Badminton Serve Release Height

2021 ◽  
Vol 11 (7) ◽  
pp. 2903
Author(s):  
John Rasmussen ◽  
Mark de Zee
Keyword(s):  
Experimental Data ◽  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
World Federation ◽  
Forward Dynamics ◽  
Dynamics Model ◽  
Rib Cage ◽  
Female Player ◽  
Ballistic Trajectory ◽  
Release Height

In this work, we develop and calibrate a model to represent the trajectory of a badminton shuttlecock and use it to investigate the influence of serve height in view of a new serve rule instated by the Badminton World Federation. The new rule means that all players must launch the shuttlecock below a height of 1.15 m, as opposed to the old rule whereby the required launch height was under the rib cage of the server. The model is based on a forward dynamics model of ballistic trajectory with drag, and it is calibrated with experimental data. The experiments also served to determine the actual influence of the new rule on the shuttlecock launch position. The model is used in a Monte Carlo simulation to determine the statistical influence of the new serve rules on the player’s ability to perform good serves; i.e., serves with little opportunity for the receiver to attack. We conclude that, for the female player in question, serving below a height of 1.15 m makes it marginally more difficult to perform excellent serves. We also conclude that there might be alternative launch positions that would be less likely to produce the best serves but could be exploited as a tactical option.

Dynamic Monte Carlo Simulation of thel,l-Lactide Ring-Opening Polymerization

2016 ◽  
Vol 11 (1) ◽  
pp. 1600039 ◽  
Author(s):  
Dimitrios Meimaroglou ◽  
Prokopios Pladis ◽  
Costas Kiparissides
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Ring Opening ◽  
Ring Opening Polymerization ◽  
Dynamic Monte Carlo

scholarly journals High energy cosmic ray interactions and UHECR composition problem

2019 ◽  
Vol 210 ◽  
pp. 02001
Author(s):  
Sergey Ostapchenko
Keyword(s):  
Experimental Data ◽  
Monte Carlo ◽  
Cosmic Rays ◽  
Cosmic Ray ◽  
High Energy ◽  
Ultra High Energy ◽  
Hadronic Interactions ◽  
High Energy Cosmic Rays ◽  
Cosmic Ray Interactions ◽  
Composition Problem

The differences between contemporary Monte Carlo generators of high energy hadronic interactions are discussed and their impact on the interpretation of experimental data on ultra-high energy cosmic rays (UHECRs) is studied. Key directions for further model improvements are outlined. The prospect for a coherent interpretation of the data in terms of the UHECR composition is investigated.

Monte Carlo backscattering yield (BY) calculations applying continuous slowing down approximation (CSDA) and experimental data

Vacuum ◽  
2007 ◽  
Vol 82 (2) ◽  
pp. 201-204 ◽  
Author(s):  
L. Zommer ◽  
A. Jablonski ◽  
G. Gergely ◽  
S. Gurban
Keyword(s):  
Experimental Data ◽  
Monte Carlo ◽  
Slowing Down
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