S. Mercier, G. Corredera, M. Alves-vieira, C. Mansour, and D. You, EDF Plan For a Dispersant Injection Trial, Nuclear Plant Chemistry Conference, 2012.

M. Roy, C. Mansour, and D. You, The Effect of Polyacrylic Acid on Iron Oxides Formed on Steam Generator Tubes and on Metallic Copper Present in Pressurized Water Reactors, Nuclear Plant Chemistry Conference, 2014.

R. E. Bulo, D. Donadio, A. Laio, F. Molnar, J. Rieger et al., site binding" of ca2+ ions to polyacrylates in water: A molecular dynamics study of coiling and aggregation, Macromolecules, vol.40, issue.9, pp.3437-3442, 2007.

A. Gareth, C. Tribello, M. Liew, and . Parrinello, Binding of calcium and carbonate to polyacrylates, The Journal of Physical Chemistry B, vol.113, issue.20, pp.7081-7085, 2009.

V. Nguyen-thi, C. Houriez, and B. Rousseau, Viscosity of the 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ionic liquid from equilibrium and nonequilibrium molecular dynamics, Physical Chemistry Chemical Physics, vol.12, issue.4, pp.930-936, 2010.

M. P. Allen and D. J. Tildesley, Computer simulation of liquids, Oxford Science publications, 1989.

L. Verlet, Computer "experiments" on classical fluids. i. thermodynamical properties of lennard-jones molecules, Phys. Rev, vol.159, pp.98-103, 1967.

D. Levesque and L. Verlet, Molecular dynamics and time reversibility, Journal of Statistical Physics, vol.72, issue.3-4, pp.519-537, 1993.

G. J. Martyna, M. Tuckerman, D. Tobias, and M. Klein, Explicit reversible integrators for extended systems dynamics, Molecular Physics, vol.87, issue.5, pp.1117-1157, 1996.

S. Nosé, A unified formulation of the constant temperature molecular dynamics methods, The Journal of Chemical Physics, vol.81, issue.1, pp.511-519, 1984.

W. G. Hoover, Canonical dynamics: Equilibrium phase-space distributions, Physical Review A, vol.31, issue.3, pp.1695-1697, 1985.

P. Ungerer, B. Tavitian, and A. Boutin, Applications of Molecular Simulation in the Oil and Gas Industry: Monte Carlo Methods. Editions Technip -IFP Publications, 2005.
URL : https://hal.archives-ouvertes.fr/hal-00107880

J. Abascal and C. Vega, A general purpose model for the condensed phases of water: TIP4P, The Journal of Chemical Physics, vol.123, issue.23, pp.234505-234512, 2005.

H. L. Pi, J. L. Aragones, C. Vega, E. G. Noya, J. L. Abascal et al., Anomalies in water as obtained from computer simulations of the tip4p/2005 model: density maxima, and density, isothermal compressibility and heat capacity minima, Molecular Physics, vol.107, issue.4-6, pp.365-374, 2009.
URL : https://hal.archives-ouvertes.fr/hal-00513260

M. A. González and L. F. José, The shear viscosity of rigid water models, The Journal of Chemical Physics, vol.132, issue.9, p.96101, 2010.

P. Artola, A. Raihane, C. Crauste-thibierge, D. Merlet, M. Emo et al., Limit of miscibility and nanophase separation in associated mixtures, The journal of physical chemistry. B, vol.117, issue.33, pp.9718-9745, 2013.
URL : https://hal.archives-ouvertes.fr/hal-01494098

H. J. Berendsen, J. R. Grigera, and T. P. Straatsma, The missing term in effective pair potentials, The Journal of Physical Chemistry, vol.91, issue.24, pp.6269-6271, 1987.

C. Oostenbrink, A. Villa, A. E. Mark, and W. F. Van-gunsteren, A biomolecular force field based on the free enthalpy of hydration and solvation: The gromos force-field parameter sets 53a5 and 53a6, Journal of Computational Chemistry, vol.25, issue.13, pp.1656-1676, 2004.

D. Reith, B. Müller, F. Müller-plathe, and S. Wiegand, How does the chain extension of poly (acrylic acid) scale in aqueous solution? a combined study with light scattering and computer simulation, The Journal of Chemical Physics, vol.116, issue.20, pp.9100-9106, 2002.

S. Muralidharan, U. Sulatha, and . Natarajan, Origin of the difference in structural behavior of poly(acrylic acid) and poly(methacrylic acid) in aqueous solution discerned by explicit-solvent explicit-ion md simulations, Industrial & Engineering Chemistry Research, vol.50, issue.21, pp.11785-11796, 2011.

H. Sun, S. J. Mumby, J. R. Maple, and A. T. Hagler, An ab initio cff93 all-atom force field for polycarbonates, Journal of the American Chemical Society, vol.116, issue.7, pp.2978-2987, 1994.

C. Vega, J. L. Abascal, M. M. Conde, and J. L. Aragones, What ice can teach us about water interactions: a critical comparison of the performance of different water models, Faraday Discuss, vol.141, pp.251-276, 2009.

W. Wagner and A. Pruß, The IAPWS Formulation 1995 for the Thermodynamic Properties of Ordinary Water Substance for General and Scientific Use, Journal of Physical and Chemical Reference Data, vol.31, issue.2, pp.387-535, 2002.

. Hitoshi, T. Ohtaki, and . Radnai, Structure and dynamics of hydrated ions, Chemical Reviews, vol.93, issue.3, pp.1157-1204, 1993.

L. Aristilde and G. Sposito, Molecular modeling of metal complexation by a fluoroquinolone antibiotic, Environmental Toxicology and Chemistry, vol.27, issue.11, pp.2304-2310, 2008.

A. Klamt, Conductor-like screening model for real solvents: A new approach to the quantitative calculation of solvation phenomena, The Journal of Physical Chemistry, vol.99, issue.7, pp.2224-2235, 1995.

A. Klamt and V. Jonas, Treatment of the outlying charge in continuum solvation models, The Journal of Chemical Physics, vol.105, issue.22, pp.9972-9981, 1996.

C. G. Sinn, R. Dimova, and M. Antonietti, Isothermal titration calorimetry of the polyelectrolyte/water interaction and binding of ca2+: Effects determining the quality of polymeric scale inhibitors, Macromolecules, vol.37, issue.9, pp.3444-3450, 2004.

H. D. Burrows, D. Costa, M. L. Ramos, M. Da-graca-miguel, M. H. Teixeira et al., Does cation dehydration drive the binding of metal ions to polyelectrolytes in water? what we can learn from the behaviour of aluminium(iii) and chromium(iii), Phys. Chem. Chem. Phys, vol.14, pp.7950-7953, 2012.

C. Lamouroux, D. You, G. Plancque, M. Roy, C. Laire et al., Assessment of the PolyAcrylic Acid for an Ammonia Water Treatment and for Alloy 800NG SG Tube Material in Pressurized Water Reactors, Nuclear Plant Chemistry Conference, 2012.

L. Lépine and . Gilbert, No Title, Polymer Degradation and Stability, vol.75, issue.2, pp.337-345, 2002.