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arXiv 2411.03045cond-mat.soft
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胶体与蛋白质中电荷斑块性的各向异性类DLVO相互作用

Anisotropic DLVO-like interaction for charge patchiness in colloids and proteins

Andraž Gnidovec, Emanuele Locatelli, Simon Čopar, Anže Božič, Emanuela Bianchi

AI总结:

本文针对胶体和蛋白质表面电荷分布不均匀的问题,提出一种桥接不同平均场模型的理论框架,仅匹配单粒子性质即可在宽参数范围内准确描述粒子间类DLVO静电相互作用。

摘要:

软物质和生物物质的行为与稳定性在很大程度上取决于静电相互作用,因为蛋白质和胶体等粒子在分散于电解溶液中时会获得电荷。用于理解涉及静电相互作用的体相现象时,一个常见的简化是假设粒子上的电荷具有各向同性。然而,无论是天然形成还是通过合成产生,电荷分布往往是不均匀的,这导致了复杂的粒子间相互作用图景和复杂的组装现象。这些相互作用的根本复杂性催生了基于不同假设和不同程度简化的模型,这可能模糊真实物理行为与因选择特定静电模型而产生的人工假象之间的界限。在广泛使用的线性化Poisson-Boltzmann理论基础上,我们提出了一个理论框架,通过桥接不同模型,为不均匀带电粒子之间的静电相互作用提供了一种稳健的类DLVO描述。仅通过匹配两种不同平均场模型的单粒子性质,我们发现在很宽的系统参数范围内,两粒子相互作用能之间存在定量一致。我们的工作确定了一种融合不均匀带电粒子不同模型的策略,并为可靠、准确且计算上可承受地描述其相互作用铺平了道路。

英文摘要:

The behaviour and stability of soft and biological matter depend significantly on electrostatic interactions, as particles such as proteins and colloids acquire a charge when dispersed in an electrolytic solution. A typical simplification used to understand bulk phenomena involving electrostatic interactions is the isotropy of the charge on the particles. However, whether arising naturally or by synthesis, charge distributions are often inhomogeneous, leading to an intricate particle-particle interaction landscape and complex assembly phenomena. The fundamental complexity of these interactions gives rise to models based on distinct assumptions and varying degrees of simplifications which can blur the line between genuine physical behaviour and artefacts arising from the choice of a particular electrostatic model. Building upon the widely-used linearized Poisson-Boltzmann theory, we propose a theoretical framework that -- by bridging different models -- provides a robust DLVO-like description of electrostatic interactions between inhomogeneously charged particles. By matching solely the {\em single-particle} properties of two different mean-field models, we find a quantitative agreement between the {\em pair interaction energies} over a wide range of system parameters. Our work identifies a strategy to merge different models of inhomogeneously charged particles and paves the way to a reliable, accurate, and computationally affordable description of their interactions.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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