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Computer simulations of confined colloidal systems at the air/water interface

机译:空气/水界面的受限胶体系统的计算机模拟

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We present Monte Carlo simulations in the NVT ensemble for spherical particles of diameter or interacting via a hard-core potential with a square-shoulder (SS) repulsive barrier, a square-well (SW) attraction, and a second SS repulsion. This discrete potential is used to mimic the pair interaction in confined colloidal systems at the air/water interface. The SW attraction represents a secondary minimum for-large interparticle distances, and the SS repulsion is a shallow secondary maximum after the secondary minimum. The effect of the SS range lambda(r)sigma is studied for the cases lambda(r) = 0, 6, and 7. The simulation results for the last two cases indicate the important role of the presence of the secondary maximum in-the inter-action potential, since they are able to reproduce the main features observed in colloidal particles trapped at the air/water interface, such as clustering, chain formation, foams, and the presence of voids. [References: 30]
机译:我们在NVT集合中呈现直径或与硬核势相互作用的球形颗粒的蒙特卡罗模拟,该硬核势与方肩(SS)排斥势垒,方阱(SW)吸引力和第二SS排斥。该离散电位用于模拟空气/水界面处的受限胶体系统中的离子对相互作用。 SW吸引力代表较大的粒子间距离的次要最小值,而SS排斥力是次要最小值之后的次要最大值。研究了lambda(r)= 0、6和7情况下SS范围lambda(r)sigma的影响。最后两种情况的模拟结果表明,次级最大值存在于其中的重要作用。相互作用的潜力,因为它们能够重现在空气/水界面处捕获的胶体颗粒中观察到的主要特征,例如聚集,链形成,泡沫和存在空隙。 [参考:30]

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