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首页> 外文期刊>The Journal of Chemical Physics >Note: Depletion potentials in non-additive asymmetric binary mixtures of hard-spheres
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Note: Depletion potentials in non-additive asymmetric binary mixtures of hard-spheres

机译:注意:硬球的非加性不对称二元混合物中的耗尽势

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During the last few decades, intense research efforts have been directed to understand the relationship between the effective interaction among particles, u~(eff)(r), and the morphology and phase behavior of a large diversity of materials.~1 Effective potentials represent a reduced description of many-body systems, since the explicit incorporation of all the degrees of freedom in any theoretical framework is an impossible task. Based on the contraction of the description, developed within the framework of integral equations theory, we have recently shown that the depletion potential among big particles, u_(11)~(eff)(r), in an additive asymmetric binary mixture of hard-spheres can be calculated at all particle concentrations.~1 In fact, it is possible to evaluate the effective potential near the theoretically predicted demixing transition provided the difference between the effective and bare bridge functions of the observable species (in this case the big spheres) is explicitly known. There is not established universal bridge function for additive binary mixtures of hard-spheres. However, we have demonstrated that for this type of systems a variant of the Verlet closure, proposed by Kinoshita,~2 allowed us to accurately determine all the structural functions needed to evaluate the effective pair potential between big spheres.~1
机译:在过去的几十年中,人们进行了深入的研究,以了解粒子之间的有效相互作用u〜(eff)(r)与多种材料的形态和相行为之间的关系。〜1有效电势代表减少对多体系统的描述,因为在所有理论框架中明确地纳入所有自由度是一项不可能的任务。基于描述的压缩,它是在积分方程理论的框架内发展的,最近我们发现,在硬质原子的加性不对称二元混合物中,大粒子之间的耗尽势u_(11)〜(eff)(r)可以在所有粒子浓度下计算球体。〜1实际上,只要可观察到的物种的有效和裸桥功能之间存在差异(在这种情况下为大球体),就可以在理论上预测的混合转变附近评估有效电势是明确已知的。对于硬球的添加二元混合物,尚未建立通用桥函数。但是,我们已经证明,对于此类系统,由Kinoshita提出的Verlet闭包的变体〜2使我们能够准确地确定评估大球体之间有效对势所需的所有结构函数。〜1

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