Pizio O, Sokołowski S
Instituto de Química de la UNAM, Coyoacán 04510, D.F., Mexico.
J Chem Phys. 2005 Apr 8;122(14):144707. doi: 10.1063/1.1883165.
We present results of investigations of condensation of restricted primitive model of electrolyte solutions with association between oppositely charged ions confined to slitlike pores. The associative interaction leads to the formation of ionic pairs. It is accounted for by incorporating the first-order thermodynamic perturbation theory into the free energy functional. In order to elucidate the role of association, the phase diagrams are compared with those obtained by us recently [O. Pizio et al., J. Chem. Phys. 121, 11957 (2004)] for the restricted primitive model. The inclusion of the association into the theory leads to lowering the critical temperature for the fluid confined to pores with uncharged and with charged walls. We have observed that the average fraction of bonded ions is high along the coexistence envelope.
我们展示了对电场被关在狭缝状孔隙中且带相反电荷离子之间存在缔合作用的受限原始电解质溶液模型的凝聚状态的研究结果。缔合相互作用导致离子对的形成。通过将一阶热力学微扰理论纳入自由能泛函来解释这种作用。为了阐明缔合作用的作用，将相图与我们最近针对受限原始模型所得到的相图[O. Pizio等人，《化学物理杂志》121, 11957 (2004)]进行了比较。将缔合作用纳入理论导致对于处于不带电和带电壁孔隙中的流体，其临界温度降低。我们观察到，在共存曲线上键合离子的平均分数很高。
