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Wetting of a solid substrate by a “civilized” model of ionic solutions
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10.1063/1.3428704
/content/aip/journal/jcp/132/20/10.1063/1.3428704
http://aip.metastore.ingenta.com/content/aip/journal/jcp/132/20/10.1063/1.3428704

Figures

Image of FIG. 1.
FIG. 1.

Variation in density profiles of a dipolar HCY fluid in contact with a charged hard wall along the isotherm when approaching the liquid branch of the phase diagram. The reduced dipole moment and the reduced surface charge .

Image of FIG. 2.
FIG. 2.

Adsorptions of HCY and dipolar HCY fluids plotted against the distance from the liquid branch of the liquid-vapor coexistence line along the isotherm, as measured by the dimensionless deviation of the chemical potential from its value at coexistence.

Image of FIG. 3.
FIG. 3.

Reduced polarization profiles of a dipolar HCY fluid in contact with a charged hard wall. Profiles in the (a) frame correspond to the density profiles shown in Fig. 1. The (b) frame shows the same fluid in a weaker external electric field corresponding to .

Image of FIG. 4.
FIG. 4.

Density profiles of a dipolar HCY fluid along the isotherm, which is above . The substrate exerts an exponential attractive potential on the vapor particles (inverse range parameter ) and carries a surface charge . The inset shows the adsorption as a function of the distance from the coexistence line.

Image of FIG. 5.
FIG. 5.

Density profiles of a dipolar HCY fluid in contact with a solid substrate under coexistence conditions. The dipole moment and wall-fluid interaction parameters are as in Fig. 4. The lines with symbols correspond to thin liquid films formed below . The dashed curve shows the density profile of the dipolar HCY liquid at coexistence, which is equivalent to the infinitely thick film formed by the saturated vapor at this temperature (higher than ).

Image of FIG. 6.
FIG. 6.

As in Fig. 4, but for the inverse range parameter , yielding a reduced wetting temperature .

Image of FIG. 7.
FIG. 7.

As in Fig. 5, but for (the actual lies less than above the highest temperature shown, ).

Image of FIG. 8.
FIG. 8.

Density profiles of the three species [frame (a)] and the local solvent polarization [frame (b)] of a NaCl solution in contact with a charged hard wall under coexistence conditions. The reduced dipole moment , the reduced surface charge density , and . The inset of the (b) frame shows the variation in the polarization profile beyond the peak at contact.

Image of FIG. 9.
FIG. 9.

As in Fig. 8, but for a solution 1% away from the coexistence line in terms of density, and . For this surface charge density complete drying occurs at coexistence.

Image of FIG. 10.
FIG. 10.

Density profiles of the three species [frame (a)] and the local solvent polarization [frame (b)] of the vapor of a NaCl solution in contact with an uncharged, but attractive substrate. The system is 0.5% away from coexistence conditions in terms of density. The reduced dipole moment , and the temperature , which is above . The inset of the (b) frame shows the variation in the polarization profile in the liquid-vapor interfacial region.

Image of FIG. 11.
FIG. 11.

Solvent density profiles at coexistence (gas branch) compared for the SPM [with CM permittivity (35)] and the dipolar solution models. The NaCl concentration in the corresponding liquid phase is . The vapor is in contact with a wall carrying a surface charge density and exerting an exponential attraction with an inverse range parameter . The temperature and the reduced dipole moment . Both systems are close to a second order wetting transition.

Image of Scheme 1.
Scheme 1.

The influence of the molecular dipole moment value on the bulk phase diagram of the electrified dipolar HCY fluid. Liquid-vapor coexistence curves are shown for several and one fixed . The straight lines plotted over the phase diagrams illustrate the CM catastrophe, i.e., the locus of thermodynamic states where and the permittivity diverges. All states to the right of the straight lines have unphysical negative permittivities. The symbols indicate the different values of -circles correspond to , triangles to , squares to , diamonds to , stars to , and crosses to .

Tables

Generic image for table
Table I.

Diameters of the model ions and solvent molecules.

Generic image for table
Table II.

Wetting temperatures of the dipolar HCY fluid near a charged hard wall as a function of reduced dipole moment and reduced surface charge density .

Generic image for table
Table III.

Wetting temperatures of NaCl solutions. Results for the dipolar solvent model and the SPM with Clausius-Mossotti permittivity (35) are compared for several values of the reduced surface charge density , and values of the range parameter corresponding to first (upper part) and second order (lower part) transitions. The concentrations refer to salt content in the liquid phase.

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/content/aip/journal/jcp/132/20/10.1063/1.3428704
2010-05-27
2014-04-18
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Wetting of a solid substrate by a “civilized” model of ionic solutions
http://aip.metastore.ingenta.com/content/aip/journal/jcp/132/20/10.1063/1.3428704
10.1063/1.3428704
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