Characterization of effects of selected organic substances on decomposition of hydrogen peroxide during Fenton reaction

2004 ◽  
Vol 49 (4) ◽  
pp. 129-134 ◽  
Author(s):  
K.C. Namkung ◽  
A. Aris ◽  
P.N. Sharratt
Keyword(s):  
Experimental Data ◽  
Hydrogen Peroxide ◽  
Fenton Reaction ◽  
Reactive Black 5 ◽  
Organic Substances ◽  
Oxidation Model ◽  
Simulation Results ◽  
Good Agreement

This study aims to investigate the effects of selected organic substances on the degradation of hydrogen peroxide during the Fenton reaction. Since the presence of organic substances can strongly affect the mechanism of the Fenton reaction, the information on effects of organic substances on the reaction would be a vital guide to the success of its application to the destruction of organics in wastewater. Several organic compounds having different structures were selected as model pollutants: 4-chlorophenol, 1,4-dioxane, chloroform, a dye (reactive black-5), and EDTA. Oxidation of 4-chlorophenol and reactive black-5 resulted in enormously fast degradation of hydrogen peroxide, while others such as 1,4-dioxane and chloroform showed much slower degradation. These experimental data were compared to simulation results from a computational model based on a simple áOH-driven oxidation model. Modelling results for chloroform and 1,4-dioxane were in relatively good agreement with the experimental data, while those for 4-chlorophenol and reactive black-5 were very different from the experimental data. The results for EDTA showed a different trend to those for other compounds. From these results, classification of organic substances into several sub-groups was tried.

The penetration and ricochet of ogive-nosed rigid projectiles obliquely impacting metallic targets

2021 ◽  
pp. 204141962110377
Author(s):  
Yaniv Vayig ◽  
Zvi Rosenberg
Keyword(s):  
Experimental Data ◽  
Numerical Simulations ◽  
Dynamic Pressure ◽  
Oblique Impacts ◽  
Simulation Results ◽  
The Impact ◽  
Penetration Depths ◽  
Resistance To Penetration ◽  
Good Agreement

A large number of 3D numerical simulations were performed in order to follow the trajectory changes of rigid CRH3 ogive-nosed projectiles, impacting semi-infinite metallic targets at various obliquities. These trajectory changes are shown to be related to the threshold ricochet angles of the projectile/target pairs. These threshold angles are the impact obliquities where the projectiles end up moving in a path parallel to the target’s face. They were found to depend on a non-dimensional entity which is equal to the ratio between the target’s resistance to penetration and the dynamic pressure exerted by the projectile upon impact. Good agreement was obtained by comparing simulation results for these trajectory changes with experimental data from several published works. In addition, numerically-based relations were derived for the penetration depths of these ogive-nosed projectiles at oblique impacts, which are shown to agree with the simulation results.

Simulation and prediction of optical characterization of casting (Adamantan-Fulgide) thin films using (CTANNs) approach

2019 ◽  
Vol 33 (11) ◽  
pp. 1950093 ◽  
Author(s):  
A. M. A. EL-Barry ◽  
D. M. Habashy
Keyword(s):  
Experimental Data ◽  
Thin Films ◽  
Back Propagation ◽  
Optical Characterization ◽  
Experimental Information ◽  
Training Algorithm ◽  
Energy Gaps ◽  
Resilient Back Propagation ◽  
Good Agreement

For reinforcement, the photochromic field and the cooperation between the theoretical and experimental branches of physics, the computational, theoretical artificial neural networks (CTANNs) and the resilient back propagation (R[Formula: see text]) training algorithm were used to model optical characterizations of casting (Admantan-Fulgide) thin films with different concentrations. The simulated values of ANN are in good agreement with the experimental data. The model was also used to predict values, which were not included in the training. The high precision of the model has been constructed. Moreover, the concentration dependence of both the energy gaps and Urbach’s tail were, also tested. The capability of the technique to simulate the experimental information with best accuracy and the foretelling of some concentrations which is not involved in the experimental data recommends it to dominate the modeling technique in casting (Admantan-Fulgide) thin films.

New module for channeling radiation simulation in Geant4

2021 ◽  
Vol 16 (12) ◽  
pp. P12042
Author(s):  
A.A. Savchenko ◽  
W. Wagner
Keyword(s):  
Experimental Data ◽  
Single Crystals ◽  
Dipole Approximation ◽  
Relativistic Electrons ◽  
Planar Channeling ◽  
Classical Approach ◽  
Electrons And Positrons ◽  
Simulation Results ◽  
Channeling Radiation ◽  
Good Agreement

Abstract We present a new C++ module for simulation of channeling radiation to be implemented in Geant4 as a discrete physical process. The module allows simulation of channeling radiation from relativistic electrons and positrons with energies above 100 MeV for various types of single crystals. In this paper, we simulate planar channeling radiation applying the classical approach in the dipole approximation as a first attempt not yet considering other contributory processes. Simulation results are proved to be in a rather good agreement with experimental data.

THE CORRELATION BETWEEN BOND ANGLE DISTRIBUTION AND THE COORDINATION OF SILICA LIQUID UNDER PRESSURE

2012 ◽  
Vol 26 (20) ◽  
pp. 1250117 ◽  
Author(s):  
L. T. VINH ◽  
N. V. HUY ◽  
P. K. HUNG
Keyword(s):  
Experimental Data ◽  
Molecular Dynamics ◽  
Bond Angle ◽  
Simple Expression ◽  
Dynamics Simulation ◽  
Angle Distribution ◽  
Bond Angle Distribution ◽  
Simulation Results ◽  
Substantial Change ◽  
Good Agreement

Molecular dynamics simulation is carried out for liquid SiO 2 at pressure ranged from zero to 30 GPa and by using BKS, Born–Mayer type and Morse–Stretch potentials. The constructed models reproduce well the experimental data in terms of mean coordination number, bond angle and pair radial distribution function. Furthermore, the density of all samples can be expressed by a linear function of fractions SiO x. It is found that the topology of units SiO x and linkages OSi y is unchanged upon compression although the liquid undergoes substantial change in its network structure. Consequently, the partial bond angle distribution for SiO x and OSi y is identical for all samples constructed by the same potential. This result allows to establishing a simple expression between total bond angle distribution (BAD) and fraction of SiO x and OSi y. The simulation shows a good agreement between the calculation and simulation results for both total O–Si–O and Si–O–Si BADs. This supports a technique to estimate amount of units SiO x and linkages OSi y on base of total Si–O–Si and O–Si–O BADs measured experimentally.

Simulation on Coal Devolatilization Combined a Multi-Step Kinetic Model with Chemkin Software

2012 ◽  
Vol 608-609 ◽  
pp. 1375-1382
Author(s):  
Rui Zhang ◽  
Qin Hui Wang ◽  
Zhong Yang Luo ◽  
Meng Xiang Fang
Keyword(s):  
Experimental Data ◽  
Kinetic Model ◽  
Intermediate Product ◽  
Coal Combustion ◽  
Model Complexity ◽  
Coal Pyrolysis ◽  
Simple Application ◽  
Calculation Results ◽  
Simulation Results ◽  
Good Agreement

As the first step in coal combustion and gasification, coal devolatilization has significant effect on reaction process. Previous coal devolatilization models have some disadvantages, such as poor flexibility, model complexity, and requirement of characterization parameters. Recently, Sommariva et al. have proposed a multi-step kinetic model of coal devolatilization. This model avoids the disadvantages mentioned above and can predict elemental composition of tar and char. In this paper, the mechanism of this model has been revised for simple application to Chemkin. Revision method is that some reactions are split into more reactions by using one pseudo-intermediate-product to replace several final products. Simulation results show that calculation results from revised mechanism compare quite well with that from original mechanism and have good agreement with experimental data. The revised mechanism is accurate and can be applied to Chemkin very easily, which gives it wide application to simulation of coal pyrolysis, gasification and combustion.

In-plane Thermal and Electronic Transport in Quantum Dot Superlattice

2001 ◽  
Vol 677 ◽  
Author(s):  
A. Khitun ◽  
J.L. Liu ◽  
K.L. Wang ◽  
G. Chen
Keyword(s):  
Experimental Data ◽  
Thermal Properties ◽  
Quantum Dot ◽  
Electronic Transport ◽  
Lattice Thermal Conductivity ◽  
Phonon Transport ◽  
Host Materials ◽  
Simulation Results ◽  
Germanium Quantum Dots ◽  
Good Agreement

ABSTRACTWe present a theoretical model in order to describe both thermal and electronic in-plane transports in quantum dot superlattice. The model takes into account the modifications of electron and phonon transport due to the space confinement caused by the mismatch in electronic and thermal properties between dot and host materials. The developed model provides the analysis of the in-plane superlattice electronic and thermal properties versus quantum dot size and their arrangement. Numerical calculations were carried out for a structure that consists of multiple layers of Si with regimented germanium quantum dots. The simulation results of the lattice thermal conductivity are in a good agreement with experimental data.

Reversible Stepwise Motion by a Novel Symmetric Scratch Drive Actuator

2002 ◽  
Author(s):  
Shawn Chen ◽  
Wensyang Hsu
Keyword(s):  
Experimental Data ◽  
Material Properties ◽  
Previous Literature ◽  
Geometrical Parameters ◽  
Driving Voltage ◽  
Analysis Scheme ◽  
Simulation Results ◽  
Good Agreement

A novel symmetric scratch drive actuator (SSDA) capable of two-way motion is proposed here. An analysis scheme is presented, and also can be applied to the conventional scratch drive actuator (SDA). The analysis derived here is the first to be able to relate the step increment and driving voltage with given geometrical parameters and material properties for SSDA or SDA. In order to verify the analysis, the simulation results are compared to experimental data of SDA in previous literature [1], and it shows good agreement. In the analysis of SSDA, it is found that SSDA can provide the same order of step increment with the same driving voltage, and it may move in two directions by one device.

Model Testing and CFD Analysis of 2D Profiles Towards Offshore Applications

2013 ◽  
Author(s):  
Lucas do Vale Machado ◽  
Antonio Carlos Fernandes ◽  
Gustavo César Rachid Bodstein
Keyword(s):  
Experimental Data ◽  
Experimental Measurements ◽  
Cfd Analysis ◽  
Two Dimensional ◽  
Reference Simulation ◽  
Sst Turbulence Model ◽  
Computational Fluid Dynamics Cfd ◽  
Simulation Results ◽  
Naca 0015 ◽  
Good Agreement

In this paper we present numerical and experimental work motivated by the study of a rudder profile with significant levels of lift that provides better performance for the maneuvering and stabilization of a ship. This is the so-called Schilling profile. The analysis of the two-dimensional subsonic steady flow over four profiles was carried out using computational fluid dynamics (CFD) tools with a κ-ω SST turbulence model. We consider three Schilling profiles with different thicknesses and the classical NACA 0015 profile, taken as a reference. Simulation results were compared to our experimental measurements at various angles of attack and two orders of magnitude of the Reynolds number, 5.45 × 104 and 1.09 × 105. The numerical results show general good agreement with experimental data and highlight the distinct behavior of Schilling profile.

An Approach for Analyzing the Growth Kinetics of Fe2B Phase on AISI 1018 Steel

2010 ◽  
Vol 297-301 ◽  
pp. 269-274 ◽  
Author(s):  
Mourad Keddam
Keyword(s):  
Experimental Data ◽  
Carbon Steel ◽  
Growth Kinetics ◽  
Boron Content ◽  
Kinetic Constant ◽  
Mass Gain ◽  
Iron Boride ◽  
Simulation Results ◽  
Kinetics Of ◽  
Good Agreement

A simulation of the growth kinetics of iron boride forming on AISI 1018 carbon steel was done on the basis of a kinetic model. This model including the effect of the incubation time during the formation of iron boride, was applied in order to evaluate the kinetic constant at the ( ) interface, the layer thickness and the mass gain depending on the paste-boriding parameters such as time, temperature and boron potential reflected by the corresponding value of the surface boron content. The simulation results were found to be in a good agreement with the experimental data derived from the literature.

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