23Na nuclear quadrupolar relaxation as a probe of the microstructure and dynamics of aqueous clay dispersions: an application to laponite gels

Article Abstract:

23Na relaxation studies were conducted on aqueous clay dispersions. Results revealed the effect of the order/disorder transition of clay gels and the quadrupolar relaxation of neutralizing sodium counterions. Numerical simulations of sodium diffusion, employing a simplified model of clay dispersion, elucidated on the pathology of the 23Na relaxation rates by the high sensitivity of the quadrupolar coupling to the orientational correlations of charged interfaces.

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Numerical investigation of the entropy crisis in model glass formers

Article Abstract:

The claims in favor of and against the existence of an entropy crisis to test its performance near the putative Kauzmann temperature, Tk, are reexamined. The results suggest that previous numerical claims in favor of and against a thermodynamic transition at a finite Tk must be revaluated and some guidelines and suggestions for future numerical investigations of disordered systems at high densities and low temperatures are presented.

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Influence of interionic correlations on the free energy of charged interfaces: a direct derivation from (N,V,T) Monte Carlo simulations

Article Abstract:

The direct derivation of the free energy of two charged lamellae, including the contribution of the interionic correlations in the derivations of the interfacial energy and entropy, is obtained by using Monte Carlo simulations. This interfacial free energy is used as an effective potential at the solid/liquid interfaces.

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