Fluid-solid coexistence chemical potential

FIGURE 8.24 Chemical potential P i at fluid-solid coexistence, for different wall separations Wa. The symbols are the simulation results for the triangular (A) and square structures ( ). The thin dashed line is a guide to the eye. The thick continuous line indicate the value of the bulk freezing chemical potential pp bulk = 16.08. The thick dashed and dotted curves are the prediction of the Kelvin equation for the (111) and (100) planes parallel to the walls, respectively. (From Fortini A and Dijkstra M. 2006. Journal of Physics Condensed Matter 18 L371-L378. With permission.)... 

To trace the bulk gas-liquid (and gas-solid if depression was the case) coexistence line, the coexistence p-T relation for U fluid in the literature [7,8] was used to evaluate corresponding chemical potentials. Thus obtained combinations of T-fi were used as inputs to the simulations. A few to several hundred millions of elemental GCMC steps (movement, insertion or deletion) were conducted for each condition. 

Expressions obtained for the free energy, pressure and chemical potentials can be used to study the thermodynamic properties of the electrolyte solutions, in particular, to describe the phase diagram of ionic fluids. Such a possibility is illustrated in Fig. 7, which shows the effect of ion pairing on liquid-liquid coexistence curve in the ion-dipole model as a function of the ion concentration a = ()%/(pi + ps) and reduced temperature T = (Ms)-1/2, bs = Rpl/Rl The solid line corresponds to the ion-dipole model with the parameter of ion association, B = 10. The dashed line corresponds to the ion-dipole... 

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