Dzubiella J, Chakrabarti J, Löwen H
Department of Physics, Technical University Munich, 85748 Garching, Germany.
J Chem Phys. 2009 Jul 28;131(4):044513. doi: 10.1063/1.3193557.
The distance-resolved effective interaction between two colloidal particles in a subcritical solvent is explored both by an explicit and implicit modeling. An implicit solvent approach based on a simple thermodynamic interface model is tested against grand-canonical Monte Carlo computer simulations using explicit Lennard-Jones solvent molecules. Close to liquid-gas coexistence, a joint gas bubble surrounding the colloidal particle pair yields an effective attraction between the colloidal particles, the strength of which can be vastly tuned by the solvophobicity of the colloids. The implicit model is in good agreement with our explicit computer simulations, thus enabling an efficient modeling and evaluation of colloidal interactions and self-assembly in subcritical solvent environments.
通过显式和隐式建模研究了亚临界溶剂中两个胶体颗粒之间的距离分辨有效相互作用。基于简单热力学界面模型的隐式溶剂方法与使用显式 Lennard-Jones 溶剂分子的巨正则蒙特卡罗计算机模拟进行了对比测试。接近液-气共存时，围绕胶体颗粒对的联合气泡在胶体颗粒之间产生有效吸引力，其强度可通过胶体的疏溶性进行大幅调节。隐式模型与我们的显式计算机模拟结果吻合良好，从而能够在亚临界溶剂环境中对胶体相互作用和自组装进行高效建模和评估。
