List of works - Magali Duvail

A Combined Spectroscopic/Molecular Dynamic Study for Investigating a Methyl-Carboxylated PEI as a Potential Uranium Decorporation Agent.

scientific article published on 17 January 2017

A dynamic model to explain hydration behaviour along the lanthanide series

scientific article published on 01 April 2008

Accounting for adsorption and desorption in lattice Boltzmann simulations

scientific article published on 19 July 2013

Activity Coefficients of Aqueous Sodium, Calcium, and Europium Nitrate Solutions from Osmotic Equilibrium MD Simulations

scientific article published on 26 July 2018

Atomistic description of binary lanthanoid salt solutions: a coarse-graining approach.

scientific article published on 28 March 2011

Building a polarizable pair interaction potential for lanthanoids(III) in liquid water: a molecular dynamics study of structure and dynamics of the whole series.

scientific article published in March 2009

Complexation of Lanthanides(III), Americium(III), and Uranium(VI) with Bitopic N,O Ligands: an Experimental and Theoretical Study ⬇️

scientific article published on June 10, 2011

Investigation of the Structure of Concentrated NaOH Aqueous Solutions by Combining Molecular Dynamics and Wide-Angle X-ray Scattering

scientific article published on 12 June 2019

Liquid/liquid interface in periodic boundary condition

scientific article published on 23 December 2020

Mesoscopic modelling of frustration in microemulsions

scientific article published on 01 May 2013

Molecular dynamics studies of concentrated binary aqueous solutions of lanthanide salts: structures and exchange dynamics

scientific article published on 01 January 2010

Multi-scale modelling of uranyl chloride solutions.

scientific article published on January 2015

Pair interaction potentials with explicit polarization for molecular dynamics simulations of La(3+) in bulk water

scientific article published on 01 July 2007

Polarizable interaction potential for molecular dynamics simulations of actinoids(III) in liquid water

scientific article published on 01 July 2011

Predicting for thermodynamic instabilities in water/oil/surfactant microemulsions: A mesoscopic modelling approach

scientific article published on 01 April 2014

Probing the existence of uranyl trisulfate structures in the AMEX solvent extraction process

scientific article published on 12 June 2019

Revised Ionic Radii of Lanthanoid(III) Ions in Aqueous Solution

scientific article published on 15 April 2011

Simulating Osmotic Equilibria: A New Tool for Calculating Activity Coefficients in Concentrated Aqueous Salt Solutions

scientific article

Stability of reverse micelles in rare-earth separation: a chemical model based on a molecular approach.

scientific article published on 22 February 2017

The role of curvature effects in liquid-liquid extraction: assessing organic phase mesoscopic properties from MD simulations.

scientific article published on 31 July 2017

Thermodynamics of Associated Electrolytes in Water: Molecular Dynamics Simulations of Sulfate Solutions

scientific article published on 22 May 2015

UO22+ structure in solvent extraction phases resolved at molecular and supramolecular scales: a combined molecular dynamics, EXAFS and SWAXS approach

scientific article published on 01 April 2019

Understanding the nitrate coordination to Eu3+ ions in solution by potential of mean force calculations ⬇️

scientific article published on February 15, 2011

List of works by Magali Duvail