Structural Study Of Water

In A Reverse Monte Carlo (RMC) Simulation

M. Kotbi1, O. Abbes2*

1Department of physics, A.B. Belka´d University, BP.119 13000   Tlemcen, Algeria

2 Department of physics, T. Moulay University center Sa´da BP.138 20002 Saida, Algeria

* Corresponding author. E-mail: okimabbes@yahoo.fr

Received: 31 October 2006; revised version accepted: 17 September 2007

 

Abstract

     A reverse Monte Carlo simulation is applied to study static behaviour of water in its pure state and within the aqueous electrolyte LiCl-6H2O in two thermodynamic states.  RMC method essentially based on partial pair correlation function issue from neutron scattering technique generates configurations used to compute a set of atomic pair distribution functions. Structural parameters and correlations distances are deduced in order to observe both ionic presence and temperature effect on the structural organization of water molecules.

 

Keywords: Water, Structural Modelisation; Aqueous Electrolyte; Reverse Monte Carlo (RMC). 

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