dos Santos Alexandre P, Diehl Alexandre, Levin Yan
Instituto de Física, Universidade Federal do Rio Grande do Sul, Caixa Postal 15051, CEP 91501-970 Porto Alegre, RS, Brazil.
J Chem Phys. 2009 Mar 28;130(12):124110. doi: 10.1063/1.3098556.
A theory is proposed which allows us to calculate the distribution of the multivalent counterions around a colloidal particle using the cell model. The results are compared with the Monte Carlo simulations and are found to be very accurate in the two asymptotic regimes, close to the colloidal particle and far from it. The theory allows to accurately calculate the osmotic pressure and the effective charge of colloidal particles with multivalent counterions.
提出了一种理论,该理论使我们能够使用晶格模型计算多价抗衡离子在胶体颗粒周围的分布。将结果与蒙特卡罗模拟进行比较,发现在两种渐近状态下,即靠近胶体颗粒和远离胶体颗粒时,结果都非常准确。该理论能够准确计算含有多价抗衡离子的胶体颗粒的渗透压和有效电荷。