Bottom-Up Construction of the Interaction between Janus Particles
Bottom-Up Construction of the Interaction between Janus Particles
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DOI：
10.1021/acs.jpcb.2c07858
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发表时间：
2023-02-13
影响因子：
3.3
通讯作者：
Hernandez，Rigoberto
中科院分区：
文献类型：
--
作者：
Popov，Alexander;Hernandez，Rigoberto
虽然两个均匀带电球体（即胶体）之间的相互作用是众所周知的，但不均匀带电球体（例如 Janus 粒子）之间的相互作用却不是众所周知。具体来说，Derjaguin 近似将两个球形粒子之间的势能与两个平面之间每单位面积的相互作用能 Vpl 联系起来。该形式已得到扩展，以获得具有可变相对方向的 Janus 胶体之间屏蔽静电相互作用的求积表达式。相互作用被分解为参数空间中的三个区域，通过它们的方位对称性来区分。通过检查不同的具体情况来估计这些区域对总能量的贡献。有效势能Vpli重新归一化，使得所得势能与Janus粒子之间最优选相对取向的实际势能相同。作为一对粒子的分离距离和相互方向的函数的势能在解析（但近似）形式和早期使用的严格逐点计算模型之间具有优势。因此，Janus 粒子的粗粒度模型可以有效地实现这一潜在模型，而不失一般性。
While the interaction between two uniformly charged spheres─viz colloids─is well-known, the interaction between nonuniformly charged spheres such as Janus particles is not. Specifically, the Derjaguin approximation relates the potential energy between two spherical particles with the interaction energyVplper unit area between two planar surfaces. The formalism has been extended to obtain a quadrature expression for the screened electrostatic interaction between Janus colloids with variable relative orientations. The interaction is decomposed into three zones in the parametric space, distinguished by their azimuthal symmetry. Different specific situations are examined to estimate the contributions of these zones to the total energy. The effective potentialVplis renormalized such that the resulting potential energy is identical with the actual one for the most preferable relative orientations between the Janus particles. The potential energy as a function of the separation distance and the mutual orientation of a pair of particles compares favorably between the analytical (but approximate) form and the rigorous point-wise computational model used earlier. Coarse-grained models of Janus particles can thus implement this potential model efficiently without loss of generality.