在不可克服的排斥障碍情况下使用双粒子模拟评估絮凝率
Use of two-particle simulations for the evaluation of the flocculation rate in the case of insurmountable repulsive barriers
摘要：
两个胶体粒子之间的相互作用势通常跨越几纳米。因此，在模拟中正确评估潜力需要非常短的时间步长。然而，通常可以将一个多粒子计算与几个两粒子模拟相结合，以估计一组聚集率。如同Fuchs理论一样，该程序将最快絮凝速率的评估与几个稳定性比率的计算相结合。这种方法已经在对初级最小絮凝表现出低排斥屏障的系统中进行了测试。在这篇文章中，该程序进行了修改，以计算二次最小絮凝的平均速率。然后，该技术被用来估计液滴变形的影响，在水中的十六烷纳米乳液的聚集速率与十二烷基硫酸钠（SDS）稳定。
英文摘要：
The interaction potential between two colloidal particles typically spans a few nanometers. Hence the correct appraisal of the potential in simulations requires very short time steps. However, it is often possible to combine one many-particle calculation with several two-particle simulations in order to estimate a set of aggregation rates. As in the theory of Fuchs, this procedure combines the evaluation of the fastest flocculation rate with the calculation of several stability ratios. This methodology was already tested in systems which exhibit low repulsive barriers for primary minimum flocculation. In this article, the procedure is modified in order to calculate an average rate for secondary minimum flocculation. The technique is then used to estimate the influence of drop deformation on the aggregation rate of hexadecane-in-water nano-emulsions stabilized with sodium dodecylsulfate (SDS).
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