Ecotoxicity Assessment of the Industrial Explosives Explosion Products

2021 ◽  
pp. 36-40
Author(s):  
N.I. Akinin ◽  
◽  
A.S. Garmashov ◽  
D.I. Mikheev ◽  
◽  
...  
Keyword(s):  
Experimental Data ◽  
Ammonium Nitrate ◽  
Computational Methods ◽  
Oxygen Balance ◽  
Explosion Products ◽  
Qualitative And Quantitative ◽  
Software Packages ◽  
Physicochemical Factors ◽  
The Russian Federation ◽  
Computational Part

The statistics is presented in the article concerning the industrial explosives consumption in the world and in the Russian Federation, based on which it is possible to estimate the scale of emission of toxic gaseous explosion products into the environment. The mechanism of formation of gaseous explosion products depending on the oxygen balance of the mixed ammonium nitrate explosive is briefly outlined. In the methodological part of the work, an overview is made related to some computational methods for determining the qualitative and quantitative compositions of gaseous explosion products of industrial explosives based on ammonium nitrate. The main regularities of the influence of physical and physicochemical factors surrounding the charge of an industrial explosive on the formation of toxic gaseous explosion products are described. Computational part of the work is a description of the calculation parameters and the used software packages Shock and Detonation and Real, and the tabulated results of the calculations in comparison with the experimental data obtained from the literature sources. When discussing the results, it is shown that using theoretical calculation methods, only an approximate estimate (with an error of more than 32 %) of the qualitative and quantitative compositions of gaseous explosion products is possible. Doubt is expressed about the conversion coefficient of the concentration of nitrogen oxides to the conditional carbon monoxide-6.5, which is adopted for use in the calculations without substantiating the reasons. It is concluded that only computational methods for determining the composition of gaseous explosion products are available, the results of which are far from reality, and experimental methods are only partially close to the real conditions, respectively, it is required to develop new computational methods. It is noted that the prospect for the development of this topic is the creation of a new computational software package based on the experimental data.

scholarly journals Three-Dimensional Structures of Carbohydrates and Where to Find Them

2020 ◽  
Vol 21 (20) ◽  
pp. 7702 ◽  
Author(s):  
Sofya I. Scherbinina ◽  
Philip V. Toukach
Keyword(s):  
Experimental Data ◽  
Molecular Modeling ◽  
Computational Methods ◽  
Three Dimensional ◽  
Structural Diversity ◽  
Structural Data ◽  
Structural Features ◽  
Data Validation ◽  
Data Generation ◽  
Efficient Treatment

Analysis and systematization of accumulated data on carbohydrate structural diversity is a subject of great interest for structural glycobiology. Despite being a challenging task, development of computational methods for efficient treatment and management of spatial (3D) structural features of carbohydrates breaks new ground in modern glycoscience. This review is dedicated to approaches of chemo- and glyco-informatics towards 3D structural data generation, deposition and processing in regard to carbohydrates and their derivatives. Databases, molecular modeling and experimental data validation services, and structure visualization facilities developed for last five years are reviewed.

scholarly journals A study of computational methods for wake structure and base pressure prediction of a generic SUV model with fixed and rotating wheels

2017 ◽  
Vol 231 (9) ◽  
pp. 1222-1238 ◽  
Author(s):  
David Forbes ◽  
Gary Page ◽  
Martin Passmore ◽  
Adrian Gaylard
Keyword(s):  
Experimental Data ◽  
Computational Methods ◽  
Large Scale ◽  
Ground Plane ◽  
Computational Cost ◽  
Rear Wheel ◽  
Base Pressure ◽  
Detached Eddy Simulation ◽  
Wake Structure ◽  
Wake Interactions

This study is an evaluation of the computational methods in reproducing experimental data for a generic sports utility vehicle (SUV) geometry and an assessment on the influence of fixed and rotating wheels for this geometry. Initially, comparisons are made in the wake structure and base pressures between several CFD codes and experimental data. It was shown that steady-state RANS methods are unsuitable for this geometry due to a large scale unsteadiness in the wake caused by separation at the sharp trailing edge and rear wheel wake interactions. unsteady RANS (URANS) offered no improvements in wake prediction despite a significant increase in computational cost. The detached-eddy simulation (DES) and Lattice–Boltzmann methods showed the best agreement with the experimental results in both the wake structure and base pressure, with LBM running in approximately a fifth of the time for DES. The study then continues by analysing the influence of rotating wheels and a moving ground plane over a fixed wheel and ground plane arrangement. The introduction of wheel rotation and a moving ground was shown to increase the base pressure and reduce the drag acting on the vehicle when compared to the fixed case. However, when compared to the experimental standoff case, variations in drag and lift coefficients were minimal but misleading, as significant variations to the surface pressures were present.

scholarly journals Permeability of Sand-Clay Mixtures

2010 ◽  
Vol 56 (4) ◽  
pp. 299-320 ◽  
Author(s):  
G. Kacprzak ◽  
C. Boutin ◽  
T. Doanh
Keyword(s):  
Experimental Data ◽  
Actual State ◽  
Load Step ◽  
Qualitative And Quantitative ◽  
Experimental Data Point ◽  
Saturated Clay ◽  
Simplifying Assumptions ◽  
Data Point ◽  
Homogenization Methods

Abstract This study deals with the behavior of composite blends constituted of rigid and impervious grains included in saturated clay paste of kaolin, considered as permeable and deformable. Permeability tests performed during standard oedometr tests (before each load step) highlight the key role of the original and actual state of the clay paste, and show the existence of a threshold of sand grain concentration above which a structuring effect influences its permeability. In the light of these experiments some usual homogenization methods (with simplifying assumptions to make the problem manageable) are considered in order to model the mixture permeability. Qualitative and quantitative comparisons with experimental data point out their respective domain of interest and limitations of such approaches

Thermodynamic Aspects of Tin Segregation during Solidification of Aluminium Alloys

2009 ◽  
Vol 618-619 ◽  
pp. 183-190 ◽  
Author(s):  
Rainer Schmid-Fetzer
Keyword(s):  
Experimental Data ◽  
Aluminium Alloys ◽  
Thermodynamic Database ◽  
Multicomponent Alloys ◽  
Scheil Simulation ◽  
Solidification Simulation ◽  
Software Packages

When trying to calculate the approximate constitution of as-cast tin containing aluminium alloys one has to cope with a combination of intricacies: (i) Scheil solidification simulation may reflect strong enrichment of alloying components, especially in multicomponent alloys, thus leaving the safe ground of the underlying thermodynamic database. (ii) Liquid demixing often intensifies by addition of many components to Al-Sn alloys, thus forming monotectic reactions, boosting the segregation and aggravating the first effect. (iii) Scheil simulation in multicomponent Al-x-y-z-Sn alloys not only combines the first two problems, moreover, the current versions of major thermodynamic software packages are not able to perform the Scheil simulation if liquid demixing and monotectic reactions occur. These intricacies are worked out and the development of a dedicated Al-Si-Cu-Mg-Sn thermodynamic database for large composition ranges is presented. Calculations are compared to experimental data of an Al-7.5Si-3.5Cu-0.3Mg-0.1Sn alloy and the need for specific follow-up work is identified.

Network Cleansing

2009 ◽  
pp. 80-97 ◽  
Author(s):  
Paolo Marcatili ◽  
Anna Tramontano
Keyword(s):  
Experimental Data ◽  
Computational Methods ◽  
Gold Standard ◽  
State Of The Art ◽  
Experimental Studies ◽  
The State ◽  
Biological Information ◽  
Ppi Network

This chapter provides an overview of the current computational methods for PPI network cleansing. The authors first present the issue of identifying reliable PPIs from noisy and incomplete experimental data. Next, they address the questions of which are the expected results of the different experimental studies, of what can be defined as true interactions, of which kind of data are to be integrated in assigning reliability levels to PPIs and which gold standard should the authors use in training and testing PPI filtering methods. Finally, Marcatili and Tramontano describe the state of the art in the field, presenting the different classes of algorithms and comparing their results. The aim of the chapter is to guide the reader in the choice of the most convenient methods, experiments and integrative data and to underline the most common biases and errors to obtain a portrait of PINs which is not only reliable but as well able to correctly retrieve the biological information contained in such data.

Requirement Analysis and Preliminary Design for Energy Dispersive X-ray Fluorescence Analysis Software

1990 ◽  
Vol 34 ◽  
pp. 149-156
Author(s):  
Zhaogui Liu
Keyword(s):  
Fluorescence Analysis ◽  
Energy Dispersive ◽  
Requirement Analysis ◽  
Preliminary Design ◽  
Sequence Structure ◽  
X Ray ◽  
Qualitative And Quantitative ◽  
Complex Information ◽  
Software Packages ◽  
Quantitative Analyses

AbstractThe rapid progress of x-ray fluorescence analysis spectrometers has been closely associated with advances in computers. Due to the power of computers, it is possible to acquire the data automatically and interpret complex information accurately and quickly, so as to provide both qualitative and quantitative analyses. It is now about thirty years that computers have been applied to X-Ray Fluorescence Analysis (XRFA). Few workers have discussed the style of the various approaches, although many different software packages have been used for XRFA. Requirement analysis has been performed for Energy Dispersive (ED) XRFA, and preliminary designs are given for three types of structures: i. Sequence structure, ii. Tree structure, and iii. Net structure.

Data centric nanocomposites design via mixed-variable Bayesian optimization

2020 ◽  
Vol 5 (8) ◽  
pp. 1376-1390
Author(s):  
Akshay Iyer ◽  
Yichi Zhang ◽  
Aditya Prasad ◽  
Praveen Gupta ◽  
Siyu Tao ◽  
...  
Keyword(s):  
Experimental Data ◽  
Computational Methods ◽  
Bayesian Optimization ◽  
Qualitative Design ◽  
Design Variables ◽  
Mixed Variable

Integrating experimental data with computational methods enables multicriteria design of nanocomposites using quantitative and qualitative design variables.

scholarly journals Combining Experimental Data and Computational Methods for the Non-Computer Specialist

Molecules ◽  
2020 ◽  
Vol 25 (20) ◽  
pp. 4783
Author(s):  
Reinier Cárdenas ◽  
Javier Martínez-Seoane ◽  
Carlos Amero
Keyword(s):  
Experimental Data ◽  
Molecular Mechanism ◽  
Computational Methods ◽  
Dynamic Systems ◽  
Experimental Methods ◽  
Computational Techniques ◽  
Biological Macromolecules ◽  
Basic Principles ◽  
Structural Interpretation

Experimental methods are indispensable for the study of the function of biological macromolecules, not just as static structures, but as dynamic systems that change conformation, bind partners, perform reactions, and respond to different stimulus. However, providing a detailed structural interpretation of the results is often a very challenging task. While experimental and computational methods are often considered as two different and separate approaches, the power and utility of combining both is undeniable. The integration of the experimental data with computational techniques can assist and enrich the interpretation, providing new detailed molecular understanding of the systems. Here, we briefly describe the basic principles of how experimental data can be combined with computational methods to obtain insights into the molecular mechanism and expand the interpretation through the generation of detailed models.

Statistical Analysis of Grain Boundaries in the Space of Macroscopic Boundary Parameters

2011 ◽  
Vol 702-703 ◽  
pp. 697-702 ◽  
Author(s):  
Adam Morawiec
Keyword(s):  
Experimental Data ◽  
Grain Boundary ◽  
Quantitative Measure ◽  
Data Sets ◽  
Tilt Boundaries ◽  
Analysis Application ◽  
Experimental Errors ◽  
Computational Part ◽  
Textured Materials

Current issues concerning the characterization of grain boundary networks via five-dimensional (5D) grain boundary distributions are considered. A quantitative measure of reliability of such distributions is adapted from conventional texture analysis. Application of the measure shows that with the currently available size of experimental data sets of boundary parameters, only strong components of the boundary distributions can be reliably evaluated. Improvements of the computational part of the analysis are possible if the the binning based on Euler and polar/azimuth angles is replaced by searching the data sets based on a suitably defined distance. Moreover, it is indicated that for textured materials the stereological approach has limited reliability. Finally, it is suggested that coherent twins can be used for estimating experimental errors, and that the distributions cannot be a basis for conclusions about tilt boundaries unless additional restrictions are applied. The approach used in the paper is theoretical with support by computer simulations.

scholarly journals Ensuring Operators-Drivers Transport of Agricultural Machinery Safety in the Context of Sustainable Development

2014 ◽  
Vol 3 (1) ◽  
pp. 30-32
Author(s):  
Marina Ovcharenko ◽  
Andrey Ovcharenko ◽  
Elena Ovchinnikova ◽  
Alexey Arefiev
Keyword(s):  
Experimental Data ◽  
Reaction Time ◽  
Traffic Accidents ◽  
Road Traffic ◽  
Road Traffic Accidents ◽  
Agricultural Machinery ◽  
Work Shift ◽  
Common Causes ◽  
The Russian Federation ◽  
The Common

Abstract The number and severity of road traffic accidents in the Russian Federation is not reduced from year to year. It is established that one of the common causes of traffic accidents is sleep at the wheel, it is especially typical for operators-drivers of transport agricultural machinery. According to the experimental data were derived mathematical dependences of operator reaction time of the driver at the beginning and end of the work shift by his age, which proved that with increasing age operator reaction time in an emergency increases

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