Structural study of an electrolyte solution using the inverse Monte-Carlo-Method

The Reverse Monte Carlo (RMC) method is a simulation technique used to create a model of a three-dimensional structure based on available experimental data. It can be applied to many types of data. So far these applications include neutron diffraction, X-ray diffraction, Y-ray diffraction, electron diffraction and NMR. The systems studied are also of great variety : liquid, glass, polymer, crystals and magnetic materials. The aim of our work is to show the advantage of the Reverse Monte Carlo RMC method and to improve these results by introducing a screened potential model. The experimental data for this method were obtained at the materials physics laboratory at Claude Bernad University (Lyon, France).

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Publication Details

Journal
Brazilian Journal of Animal and Environmental Research
Published
2024-12-31
DOI
https://doi.org/10.34188/bjaerv7n4-153
Primary Topic
Chemical and Physical Properties in Aqueous Solutions
Type
article
Field-Weighted Citation Impact
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article

Structural study of an electrolyte solution using the inverse Monte-Carlo-Method

Assia Nebia-Meziane, Haciba Meziane
Brazilian Journal of Animal and Environmental Research
Chemical and Physical Properties in Aqueous Solutions
article

Structural study of an electrolyte solution using the inverse Monte-Carlo-Method

Assia Nebia-Meziane, Haciba Meziane
article en

Abstract

The Reverse Monte Carlo (RMC) method is a simulation technique used to create a model of a three-dimensional structure based on available experimental data. It can be applied to many types of data. So far these applications include neutron diffraction, X-ray diffraction, Y-ray diffraction, electron diffraction and NMR. The systems studied are also of great variety : liquid, glass, polymer, crystals and magnetic materials. The aim of our work is to show the advantage of the Reverse Monte Carlo RMC method and to improve these results by introducing a screened potential model. The experimental data for this method were obtained at the materials physics laboratory at Claude Bernad University (Lyon, France).

Brazilian Journal of Animal and Environmental ResearchVol. 7(4)
Openalex Percentile: Top 84%
Chemical and Physical Properties in Aqueous Solutions
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