Mixtures of ions and amphiphilic molecules in slit-like pores: A density functional approach.
Mixtures of ions and amphiphilic molecules in slit-like pores: A density functional approach.
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DOI：
10.1063/1.4918640
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发表时间：
2015-04
期刊：
影响因子：
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通讯作者：
O. Pizio;W. Rżysko;S. Sokołowski;Z. Sokołowska
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文献类型：
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作者：
O. Pizio;W. Rżysko;S. Sokołowski;Z. Sokołowska
我们研究了一种混合物的微观结构和热力学性质，该混合物包含两亲分子和带电硬球，它们被限制在具有不带电硬壁的狭缝状孔中。该模型和密度泛函方法与我们以前的工作[Pizio et al.，J. Chem.Phys.140，174706（2014）]。我们的主要重点是在探索离子的存在下所带来的影响，对结构的限制两亲性粒子。我们发现，对于某些情况下的各向异性相互作用，封闭流体的结构的变化发生通过一级转变。此外，如果阴离子和阳离子被两亲分子的不同半球吸引，则在壁静电势为零时，壁上会出现电荷。对于给定的热力学状态，该电荷是孔宽度的振荡函数。
We investigate microscopic structure and thermodynamic properties of a mixture that contains amphiphilic molecules and charged hard spheres confined in slit-like pores with uncharged hard walls. The model and the density functional approach are the same as described in details in our previous work [Pizio et al., J. Chem. Phys. 140, 174706 (2014)]. Our principal focus is in exploring the effects brought by the presence of ions on the structure of confined amphiphilic particles. We have found that for some cases of anisotropic interactions, the change of the structure of confined fluids occurs via the first-order transitions. Moreover, if anions and cations are attracted by different hemispheres of amphiphiles, a charge at the walls appears at the zero value of the wall electrostatic potential. For a given thermodynamic state, this charge is an oscillating function of the pore width.