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首页> 外文期刊>The Journal of Chemical Physics >Freezing of charged colloids in slit pores
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Freezing of charged colloids in slit pores

机译:冷冻狭缝孔中的带电胶体

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Using Monte Carlo simulations in the grand canonical and isobaric ensembles we investigate freezing phenomena in a charged colloidal suspension confined to narrow slit pores. Our model involves only the macroions which interact via a Derjaguin-Landau-Verwey-Overbeek (DLVO) potential supplemented by a soft-sphere potential. We focus on DLVO parameters typical for moderately charged silica particles (with charges Z similar to 35) in solvents of low ionic strengths. The corresponding DLVO interactions are too weak to drive a (bulk) freezing transition. Nevertheless, for sufficiently small surface separations L-z the confined systems display not only layering but also significant in-plane crystalline order at chemical potentials where the bulk system is a globally stable fluid (capillary freezing). At confinement conditions related to two-layer systems the observed in-plane structures are consistent with those detected in ground state calculations for perfect Yukawa bilayers R. Messina and H. Lowen, Phys. Rev. Lett. 91, 146101 (2003). Here we additionally observe (at fixed L-z) a compression-induced first-order phase transition from a two-layer to a three-layer system with different in-plane structure, in agreement with previous findings for pure hard spheres.
机译:在大规范系综和同量异位系综中使用蒙特卡罗模拟,我们研究了局限于狭窄狭缝孔隙的带电胶体悬浮液中的冻结现象。我们的模型仅涉及通过Derjaguin-Landau-Verwey-Overbeek(DLVO)电位相互作用并由软球电位补充的宏离子。我们重点关注低离子强度溶剂中带中等电荷的二氧化硅颗粒(电荷Z类似于35)的DLVO参数。相应的DLVO相互作用太弱,无法驱动(整体)冻结转变。然而,对于足够小的表面分离L-z,受限系统不仅显示出分层,而且在化学势下显示出显着的面内结晶顺序,其中本体系统是全局稳定的流体(毛细管冻结)。在与两层系统相关的约束条件下,观察到的面内结构与在完美汤川双层的基态计算中检测到的结构一致 [R. Messina 和 H. Lowen, Phys. Rev. Lett. 91, 146101 (2003)]。在这里,我们还观察到(在固定L-z处)压缩诱导的一阶相变,从具有不同面内结构的两层系统到三层系统,这与先前对纯硬球的发现一致。

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